AB66989
6940-50-7 | 4-Bromomandelic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66989
ChemicalName
4-Bromomandelic acid
CasNumber
6940-50-7
MolecularFormula
C8H7BrO3
MolecularWeight
231.0434
MdlNumber
MFCD00004232
Smiles
OC(c1ccc(cc1)Br)C(=O)O
NscNumber
60138
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AB66989
ChemicalName: 4-Bromomandelic acid
CasNumber: 6940-50-7
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD00004232
Smiles: OC(c1ccc(cc1)Br)C(=O)O
NscNumber: 60138
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AB66989
ChemicalName:
4-Bromomandelic acid
CasNumber:
6940-50-7
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD00004232
Smiles:
OC(c1ccc(cc1)Br)C(=O)O
NscNumber:
60138
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1)C(=O)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1)C(=O)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB66991
ChemicalName: 4-(Bromomethyl)-3-nitrobenzoic acid
CasNumber: 55715-03-2
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD00216575
Smiles: BrCc1ccc(cc1[N+](=O)[O-])C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB66991
ChemicalName:
4-(Bromomethyl)-3-nitrobenzoic acid
CasNumber:
55715-03-2
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD00216575
Smiles:
BrCc1ccc(cc1[N+](=O)[O-])C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(CBr)cc(=O)oc2cc1OC
NscNumber: __
Complexity: 329
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(CBr)cc(=O)oc2cc1OC
NscNumber:
__
Complexity:
329
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2