AC36499
845616-12-8 | 2-Bromo-5-cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC36499
ChemicalName
2-Bromo-5-cyanobenzoic acid
CasNumber
845616-12-8
MolecularFormula
C8H4BrNO2
MolecularWeight
226.02685999999997
MdlNumber
MFCD11847005
Smiles
N#Cc1ccc(c(c1)C(=O)O)Br
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AC36499
ChemicalName: 2-Bromo-5-cyanobenzoic acid
CasNumber: 845616-12-8
MolecularFormula: C8H4BrNO2
MolecularWeight: 226.02685999999997
MdlNumber: MFCD11847005
Smiles: N#Cc1ccc(c(c1)C(=O)O)Br
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AC36499
ChemicalName:
2-Bromo-5-cyanobenzoic acid
CasNumber:
845616-12-8
MolecularFormula:
C8H4BrNO2
MolecularWeight:
226.02685999999997
MdlNumber:
MFCD11847005
Smiles:
N#Cc1ccc(c(c1)C(=O)O)Br
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCCC1.OC(=O)CCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCC1.OC(=O)CCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1ccc(cc1)C(C)C
Complexity: 112
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1ccc(cc1)C(C)C
Complexity:
112
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4