AF87931
392319-07-2 | 5-Bromo-4-chloro-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF87931
ChemicalName
5-Bromo-4-chloro-2-nitrobenzoic acid
CasNumber
392319-07-2
MolecularFormula
C7H3BrClNO4
MolecularWeight
280.46
MdlNumber
MFCD01098213
Smiles
OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AF87931
ChemicalName: 5-Bromo-4-chloro-2-nitrobenzoic acid
CasNumber: 392319-07-2
MolecularFormula: C7H3BrClNO4
MolecularWeight: 280.46
MdlNumber: MFCD01098213
Smiles: OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AF87931
ChemicalName:
5-Bromo-4-chloro-2-nitrobenzoic acid
CasNumber:
392319-07-2
MolecularFormula:
C7H3BrClNO4
MolecularWeight:
280.46
MdlNumber:
MFCD01098213
Smiles:
OC(=O)c1cc(Br)c(cc1[N+](=O)[O-])Cl
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC(=C(C=C1)C)Br
Complexity: 90.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC(=C(C=C1)C)Br
Complexity:
90.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)NCc1ccccc1
Complexity: 142
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)NCc1ccccc1
Complexity:
142
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: AF87936
ChemicalName: 2-Benzenesulfonamidobenzoic acid
CasNumber: 34837-67-7
MolecularFormula: C13H11NO4S
MolecularWeight: 277.2957
MdlNumber: MFCD00429933
Smiles: OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AF87936
ChemicalName:
2-Benzenesulfonamidobenzoic acid
CasNumber:
34837-67-7
MolecularFormula:
C13H11NO4S
MolecularWeight:
277.2957
MdlNumber:
MFCD00429933
Smiles:
OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.1