AB66930
6319-40-0 | 4-Bromo-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66930
ChemicalName
4-Bromo-3-nitrobenzoic acid
CasNumber
6319-40-0
MolecularFormula
C7H4BrNO4
MolecularWeight
246.01496
MdlNumber
MFCD00272137
Smiles
[O-][N+](=O)c1cc(ccc1Br)C(=O)O
NscNumber
31041
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB66930
ChemicalName: 4-Bromo-3-nitrobenzoic acid
CasNumber: 6319-40-0
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.01496
MdlNumber: MFCD00272137
Smiles: [O-][N+](=O)c1cc(ccc1Br)C(=O)O
NscNumber: 31041
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB66930
ChemicalName:
4-Bromo-3-nitrobenzoic acid
CasNumber:
6319-40-0
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.01496
MdlNumber:
MFCD00272137
Smiles:
[O-][N+](=O)c1cc(ccc1Br)C(=O)O
NscNumber:
31041
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB66931
ChemicalName: 4-Bromo-3-nitrobenzonitrile
CasNumber: 89642-49-9
MolecularFormula: C7H3BrN2O2
MolecularWeight: 227.0149
MdlNumber: MFCD00982006
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])Br
NscNumber: __
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB66931
ChemicalName:
4-Bromo-3-nitrobenzonitrile
CasNumber:
89642-49-9
MolecularFormula:
C7H3BrN2O2
MolecularWeight:
227.0149
MdlNumber:
MFCD00982006
Smiles:
N#Cc1ccc(c(c1)[N+](=O)[O-])Br
NscNumber:
__
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB66932
ChemicalName: 4-Bromo-3-nitrobenzotrifluoride
CasNumber: 349-03-1
MolecularFormula: C7H3BrF3NO2
MolecularWeight: 270.0034
MdlNumber: MFCD00014685
Smiles: [O-][N+](=O)c1cc(ccc1Br)C(F)(F)F
NscNumber: __
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AB66932
ChemicalName:
4-Bromo-3-nitrobenzotrifluoride
CasNumber:
349-03-1
MolecularFormula:
C7H3BrF3NO2
MolecularWeight:
270.0034
MdlNumber:
MFCD00014685
Smiles:
[O-][N+](=O)c1cc(ccc1Br)C(F)(F)F
NscNumber:
__
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AB66933
ChemicalName: 4-Bromo-3-nitrotoluene
CasNumber: 5326-34-1
MolecularFormula: C7H6BrNO2
MolecularWeight: 216.032
MdlNumber: MFCD00024180
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])Br
NscNumber: 289
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AB66933
ChemicalName:
4-Bromo-3-nitrotoluene
CasNumber:
5326-34-1
MolecularFormula:
C7H6BrNO2
MolecularWeight:
216.032
MdlNumber:
MFCD00024180
Smiles:
Cc1ccc(c(c1)[N+](=O)[O-])Br
NscNumber:
289
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9