AH94183
89891-83-8 | 2-Chloro-5-cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH94183
ChemicalName
2-Chloro-5-cyanobenzoic acid
CasNumber
89891-83-8
MolecularFormula
C8H4ClNO2
MolecularWeight
181.57586
MdlNumber
MFCD11036379
Smiles
N#Cc1ccc(c(c1)C(=O)O)Cl
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AH94183
ChemicalName: 2-Chloro-5-cyanobenzoic acid
CasNumber: 89891-83-8
MolecularFormula: C8H4ClNO2
MolecularWeight: 181.57586
MdlNumber: MFCD11036379
Smiles: N#Cc1ccc(c(c1)C(=O)O)Cl
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AH94183
ChemicalName:
2-Chloro-5-cyanobenzoic acid
CasNumber:
89891-83-8
MolecularFormula:
C8H4ClNO2
MolecularWeight:
181.57586
MdlNumber:
MFCD11036379
Smiles:
N#Cc1ccc(c(c1)C(=O)O)Cl
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCC(CC(=O)OC)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC(CC(=O)OC)NC(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: N[C@H]1CCC[C@@H](C1)C(=O)O
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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__
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CasNumber:
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MolecularWeight:
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MdlNumber:
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Smiles:
N[C@H]1CCC[C@@H](C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1cccc(c1)n1cnc(n1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1cccc(c1)n1cnc(n1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__