AF03733
17170-26-2 | 2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AF03733
ChemicalName
2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione
CasNumber
17170-26-2
MolecularFormula
C16H17NO2
MolecularWeight
255.3117
MdlNumber
MFCD18325177
Smiles
C#CCCCCCCN1C(=O)c2c(C1=O)cccc2
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
RotatableBondCount
6
Xlogp3
3.9
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CatalogNumber: AF03733
ChemicalName: 2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione
CasNumber: 17170-26-2
MolecularFormula: C16H17NO2
MolecularWeight: 255.3117
MdlNumber: MFCD18325177
Smiles: C#CCCCCCCN1C(=O)c2c(C1=O)cccc2
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: 3.9
CatalogNumber:
AF03733
ChemicalName:
2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione
CasNumber:
17170-26-2
MolecularFormula:
C16H17NO2
MolecularWeight:
255.3117
MdlNumber:
MFCD18325177
Smiles:
C#CCCCCCCN1C(=O)c2c(C1=O)cccc2
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AF03738
ChemicalName: tert-Butyl 3-ethynylphenylcarbamate
CasNumber: 185619-66-3
MolecularFormula: C13H15NO2
MolecularWeight: 217.2637
MdlNumber: MFCD14585306
Smiles: C#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AF03738
ChemicalName:
tert-Butyl 3-ethynylphenylcarbamate
CasNumber:
185619-66-3
MolecularFormula:
C13H15NO2
MolecularWeight:
217.2637
MdlNumber:
MFCD14585306
Smiles:
C#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCC(=O)Nc1cccc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCC(=O)Nc1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__