AB61389
7697-27-0 | 2-Bromo-4-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61389
ChemicalName
2-Bromo-4-methylbenzoic acid
CasNumber
7697-27-0
MolecularFormula
C8H7BrO2
MolecularWeight
215.044
MdlNumber
MFCD00045797
Smiles
Cc1ccc(c(c1)Br)C(=O)O
NscNumber
16629
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AB61389
ChemicalName: 2-Bromo-4-methylbenzoic acid
CasNumber: 7697-27-0
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD00045797
Smiles: Cc1ccc(c(c1)Br)C(=O)O
NscNumber: 16629
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB61389
ChemicalName:
2-Bromo-4-methylbenzoic acid
CasNumber:
7697-27-0
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD00045797
Smiles:
Cc1ccc(c(c1)Br)C(=O)O
NscNumber:
16629
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AB61390
ChemicalName: 2-Bromo-4-methylbenzonitrile
CasNumber: 42872-73-1
MolecularFormula: C8H6BrN
MolecularWeight: 196.04394000000002
MdlNumber: MFCD00158968
Smiles: N#Cc1ccc(cc1Br)C
NscNumber: __
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AB61390
ChemicalName:
2-Bromo-4-methylbenzonitrile
CasNumber:
42872-73-1
MolecularFormula:
C8H6BrN
MolecularWeight:
196.04394000000002
MdlNumber:
MFCD00158968
Smiles:
N#Cc1ccc(cc1Br)C
NscNumber:
__
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AB61391
ChemicalName: 2-Bromo-4-methylphenol
CasNumber: 6627-55-0
MolecularFormula: C7H7BrO
MolecularWeight: 187.03388
MdlNumber: MFCD00002151
Smiles: Cc1ccc(c(c1)Br)O
NscNumber: 60115
Complexity: 94.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB61391
ChemicalName:
2-Bromo-4-methylphenol
CasNumber:
6627-55-0
MolecularFormula:
C7H7BrO
MolecularWeight:
187.03388
MdlNumber:
MFCD00002151
Smiles:
Cc1ccc(c(c1)Br)O
NscNumber:
60115
Complexity:
94.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1ccc(cc1Br)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1ccc(cc1Br)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__