AB64653
54454-12-5 | 3-Chloro-2-methylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB64653
ChemicalName
3-Chloro-2-methylbenzonitrile
CasNumber
54454-12-5
MolecularFormula
C8H6ClN
MolecularWeight
151.5929
MdlNumber
MFCD00045598
Smiles
N#Cc1cccc(c1C)Cl
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
2.6
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CatalogNumber: AB64653
ChemicalName: 3-Chloro-2-methylbenzonitrile
CasNumber: 54454-12-5
MolecularFormula: C8H6ClN
MolecularWeight: 151.5929
MdlNumber: MFCD00045598
Smiles: N#Cc1cccc(c1C)Cl
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 2.6
CatalogNumber:
AB64653
ChemicalName:
3-Chloro-2-methylbenzonitrile
CasNumber:
54454-12-5
MolecularFormula:
C8H6ClN
MolecularWeight:
151.5929
MdlNumber:
MFCD00045598
Smiles:
N#Cc1cccc(c1C)Cl
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1c(cccc1Cl)N=C=O
Complexity: 177
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1c(cccc1Cl)N=C=O
Complexity:
177
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C#N)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C#N)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AB64657
ChemicalName: 3-Chloro-2-nitrobenzoic acid
CasNumber: 4771-47-5
MolecularFormula: C7H4ClNO4
MolecularWeight: 201.56396000000004
MdlNumber: MFCD00007087
Smiles: [O-][N+](=O)c1c(Cl)cccc1C(=O)O
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
Xlogp3: 1.9
CatalogNumber:
AB64657
ChemicalName:
3-Chloro-2-nitrobenzoic acid
CasNumber:
4771-47-5
MolecularFormula:
C7H4ClNO4
MolecularWeight:
201.56396000000004
MdlNumber:
MFCD00007087
Smiles:
[O-][N+](=O)c1c(Cl)cccc1C(=O)O
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
Xlogp3:
1.9