AB33944
28487-61-8 | 4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB33944
ChemicalName
4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile
CasNumber
28487-61-8
MolecularFormula
C17H11N3
MolecularWeight
257.2893
MdlNumber
MFCD09270111
Smiles
N#Cc1ccc(cc1)CC(c1ccc(cc1)C#N)C#N
Complexity
452
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AB33944
ChemicalName: 4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile
CasNumber: 28487-61-8
MolecularFormula: C17H11N3
MolecularWeight: 257.2893
MdlNumber: MFCD09270111
Smiles: N#Cc1ccc(cc1)CC(c1ccc(cc1)C#N)C#N
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AB33944
ChemicalName:
4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile
CasNumber:
28487-61-8
MolecularFormula:
C17H11N3
MolecularWeight:
257.2893
MdlNumber:
MFCD09270111
Smiles:
N#Cc1ccc(cc1)CC(c1ccc(cc1)C#N)C#N
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCOC(=O)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCOC(=O)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB33948
ChemicalName: 1H-Benzimidazole-2-carboxylic acid
CasNumber: 2849-93-6
MolecularFormula: C8H6N2O2
MolecularWeight: 162.14543999999998
MdlNumber: MFCD07368500
Smiles: OC(=O)c1nc2c([nH]1)cccc2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB33948
ChemicalName:
1H-Benzimidazole-2-carboxylic acid
CasNumber:
2849-93-6
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.14543999999998
MdlNumber:
MFCD07368500
Smiles:
OC(=O)c1nc2c([nH]1)cccc2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc2c(n1C)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc2c(n1C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__