AB66924
7697-28-1 | 4-Bromo-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66924
ChemicalName
4-Bromo-3-methylbenzoic acid
CasNumber
7697-28-1
MolecularFormula
C8H7BrO2
MolecularWeight
215.04397999999995
MdlNumber
MFCD00039526
Smiles
OC(=O)c1ccc(c(c1)C)Br
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB66924
ChemicalName: 4-Bromo-3-methylbenzoic acid
CasNumber: 7697-28-1
MolecularFormula: C8H7BrO2
MolecularWeight: 215.04397999999995
MdlNumber: MFCD00039526
Smiles: OC(=O)c1ccc(c(c1)C)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB66924
ChemicalName:
4-Bromo-3-methylbenzoic acid
CasNumber:
7697-28-1
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.04397999999995
MdlNumber:
MFCD00039526
Smiles:
OC(=O)c1ccc(c(c1)C)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1Br)N)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1Br)N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB66926
ChemicalName: 4-Bromo-3-methylbenzonitrile
CasNumber: 41963-20-6
MolecularFormula: C8H6BrN
MolecularWeight: 196.0439
MdlNumber: MFCD00031538
Smiles: N#Cc1ccc(c(c1)C)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
AB66926
ChemicalName:
4-Bromo-3-methylbenzonitrile
CasNumber:
41963-20-6
MolecularFormula:
C8H6BrN
MolecularWeight:
196.0439
MdlNumber:
MFCD00031538
Smiles:
N#Cc1ccc(c(c1)C)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1ccc(c(c1)C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1ccc(c(c1)C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__