AB67312
105-07-7 | 4-Cyanobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB67312
ChemicalName
4-Cyanobenzaldehyde
CasNumber
105-07-7
MolecularFormula
C8H5NO
MolecularWeight
131.1314
MdlNumber
MFCD00003376
Smiles
O=Cc1ccc(cc1)C#N
NscNumber
5091
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB67312
ChemicalName: 4-Cyanobenzaldehyde
CasNumber: 105-07-7
MolecularFormula: C8H5NO
MolecularWeight: 131.1314
MdlNumber: MFCD00003376
Smiles: O=Cc1ccc(cc1)C#N
NscNumber: 5091
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB67312
ChemicalName:
4-Cyanobenzaldehyde
CasNumber:
105-07-7
MolecularFormula:
C8H5NO
MolecularWeight:
131.1314
MdlNumber:
MFCD00003376
Smiles:
O=Cc1ccc(cc1)C#N
NscNumber:
5091
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AB67314
ChemicalName: Methyl 4-cyanobenzoate
CasNumber: 1129-35-7
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00001823
Smiles: COC(=O)c1ccc(cc1)C#N
NscNumber: __
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB67314
ChemicalName:
Methyl 4-cyanobenzoate
CasNumber:
1129-35-7
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00001823
Smiles:
COC(=O)c1ccc(cc1)C#N
NscNumber:
__
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB67315
ChemicalName: 4-Cyanobenzoyl chloride
CasNumber: 6068-72-0
MolecularFormula: C8H4ClNO
MolecularWeight: 165.5765
MdlNumber: MFCD00001822
Smiles: N#Cc1ccc(cc1)C(=O)Cl
NscNumber: __
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB67315
ChemicalName:
4-Cyanobenzoyl chloride
CasNumber:
6068-72-0
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.5765
MdlNumber:
MFCD00001822
Smiles:
N#Cc1ccc(cc1)C(=O)Cl
NscNumber:
__
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__