AB44188
110964-79-9 | 2-Nitro-4-methylsulfonylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44188
ChemicalName
2-Nitro-4-methylsulfonylbenzoic acid
CasNumber
110964-79-9
MolecularFormula
C8H7NO6S
MolecularWeight
245.2093
MdlNumber
MFCD01941299
Smiles
[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
Complexity
392
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB44188
ChemicalName: 2-Nitro-4-methylsulfonylbenzoic acid
CasNumber: 110964-79-9
MolecularFormula: C8H7NO6S
MolecularWeight: 245.2093
MdlNumber: MFCD01941299
Smiles: [O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
Complexity: 392
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB44188
ChemicalName:
2-Nitro-4-methylsulfonylbenzoic acid
CasNumber:
110964-79-9
MolecularFormula:
C8H7NO6S
MolecularWeight:
245.2093
MdlNumber:
MFCD01941299
Smiles:
[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
Complexity:
392
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CSc1ccc(c(c1)[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CSc1ccc(c(c1)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3
Complexity: 286
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3
Complexity:
286
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccccc1[N+](=O)[O-]
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccccc1[N+](=O)[O-]
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7