AB64829
1877-72-1 | 3-Cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64829
ChemicalName
3-Cyanobenzoic acid
CasNumber
1877-72-1
MolecularFormula
C8H5NO2
MolecularWeight
147.1308
MdlNumber
MFCD00002486
Smiles
N#Cc1cccc(c1)C(=O)O
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AB64829
ChemicalName: 3-Cyanobenzoic acid
CasNumber: 1877-72-1
MolecularFormula: C8H5NO2
MolecularWeight: 147.1308
MdlNumber: MFCD00002486
Smiles: N#Cc1cccc(c1)C(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB64829
ChemicalName:
3-Cyanobenzoic acid
CasNumber:
1877-72-1
MolecularFormula:
C8H5NO2
MolecularWeight:
147.1308
MdlNumber:
MFCD00002486
Smiles:
N#Cc1cccc(c1)C(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB64830
ChemicalName: 3-Cyanobenzoyl chloride
CasNumber: 1711-11-1
MolecularFormula: C8H4ClNO
MolecularWeight: 165.57646000000003
MdlNumber: MFCD00011545
Smiles: N#Cc1cccc(c1)C(=O)Cl
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB64830
ChemicalName:
3-Cyanobenzoyl chloride
CasNumber:
1711-11-1
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.57646000000003
MdlNumber:
MFCD00011545
Smiles:
N#Cc1cccc(c1)C(=O)Cl
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB64831
ChemicalName: 3-Cyanobenzyl alcohol
CasNumber: 874-97-5
MolecularFormula: C8H7NO
MolecularWeight: 133.14728
MdlNumber: MFCD01321087
Smiles: OCc1cccc(c1)C#N
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB64831
ChemicalName:
3-Cyanobenzyl alcohol
CasNumber:
874-97-5
MolecularFormula:
C8H7NO
MolecularWeight:
133.14728
MdlNumber:
MFCD01321087
Smiles:
OCc1cccc(c1)C#N
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB64832
ChemicalName: 3-Cyanobenzyl bromide
CasNumber: 28188-41-2
MolecularFormula: C8H6BrN
MolecularWeight: 196.04394
MdlNumber: MFCD00001809
Smiles: BrCc1cccc(c1)C#N
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB64832
ChemicalName:
3-Cyanobenzyl bromide
CasNumber:
28188-41-2
MolecularFormula:
C8H6BrN
MolecularWeight:
196.04394
MdlNumber:
MFCD00001809
Smiles:
BrCc1cccc(c1)C#N
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3