AI62977
942935-70-8 | 4-Bromo-2-(cyanomethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62977
ChemicalName
4-Bromo-2-(cyanomethyl)benzoic acid
CasNumber
942935-70-8
MolecularFormula
C9H6BrNO2
MolecularWeight
240.0534
MdlNumber
MFCD22383679
Smiles
OC(=O)c1ccc(cc1CC#N)Br
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI62977
ChemicalName: 4-Bromo-2-(cyanomethyl)benzoic acid
CasNumber: 942935-70-8
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.0534
MdlNumber: MFCD22383679
Smiles: OC(=O)c1ccc(cc1CC#N)Br
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI62977
ChemicalName:
4-Bromo-2-(cyanomethyl)benzoic acid
CasNumber:
942935-70-8
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.0534
MdlNumber:
MFCD22383679
Smiles:
OC(=O)c1ccc(cc1CC#N)Br
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AI62978
ChemicalName: 5-Bromo-2-(cyanomethyl)benzoic acid
CasNumber: 942935-79-7
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.0534
MdlNumber: MFCD22491974
Smiles: N#CCc1ccc(cc1C(=O)O)Br
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI62978
ChemicalName:
5-Bromo-2-(cyanomethyl)benzoic acid
CasNumber:
942935-79-7
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.0534
MdlNumber:
MFCD22491974
Smiles:
N#CCc1ccc(cc1C(=O)O)Br
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: N#Cc1ccc(nc1)OC1CCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1ccc(nc1)OC1CCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: c1ccc2c(c1)C=Cc1c(N2p2oc3ccc4c(c3c3c(o2)ccc2c3cccc2)cccc4)cccc1
Complexity: __
Covalently-bondedUnitCount: __
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RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc2c(c1)C=Cc1c(N2p2oc3ccc4c(c3c3c(o2)ccc2c3cccc2)cccc4)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__