AA16271
116529-61-4 | 3-Bromo-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA16271
ChemicalName
3-Bromo-2-nitrobenzoic acid
CasNumber
116529-61-4
MolecularFormula
C7H4BrNO4
MolecularWeight
246.015
MdlNumber
MFCD10700064
Smiles
[O-][N+](=O)c1c(Br)cccc1C(=O)O
NscNumber
108607
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AA16271
ChemicalName: 3-Bromo-2-nitrobenzoic acid
CasNumber: 116529-61-4
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.015
MdlNumber: MFCD10700064
Smiles: [O-][N+](=O)c1c(Br)cccc1C(=O)O
NscNumber: 108607
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA16271
ChemicalName:
3-Bromo-2-nitrobenzoic acid
CasNumber:
116529-61-4
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.015
MdlNumber:
MFCD10700064
Smiles:
[O-][N+](=O)c1c(Br)cccc1C(=O)O
NscNumber:
108607
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AA16272
ChemicalName: 2-Bromo-3,5-dinitrobenzoic acid
CasNumber: 116529-60-3
MolecularFormula: C7H3BrN2O6
MolecularWeight: 291.0125
MdlNumber: MFCD00458630
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])Br
NscNumber: __
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AA16272
ChemicalName:
2-Bromo-3,5-dinitrobenzoic acid
CasNumber:
116529-60-3
MolecularFormula:
C7H3BrN2O6
MolecularWeight:
291.0125
MdlNumber:
MFCD00458630
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])Br
NscNumber:
__
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ICc1ccc(cc1Cl)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ICc1ccc(cc1Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA16275
ChemicalName: 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide, HCl
CasNumber: 116529-31-8
MolecularFormula: C5H12ClNO2S
MolecularWeight: 185.6723
MdlNumber: MFCD11114559
Smiles: NC1CCS(=O)(=O)CC1.Cl
NscNumber: 106913
Complexity: 166
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA16275
ChemicalName:
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide, HCl
CasNumber:
116529-31-8
MolecularFormula:
C5H12ClNO2S
MolecularWeight:
185.6723
MdlNumber:
MFCD11114559
Smiles:
NC1CCS(=O)(=O)CC1.Cl
NscNumber:
106913
Complexity:
166
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__