AB61085
90222-79-0 | 2-Amino-5-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61085
ChemicalName
2-Amino-5-(methylsulfonyl)benzoic acid
CasNumber
90222-79-0
MolecularFormula
C8H9NO4S
MolecularWeight
215.2264
MdlNumber
MFCD10693707
Smiles
OC(=O)c1cc(ccc1N)S(=O)(=O)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB61085
ChemicalName: 2-Amino-5-(methylsulfonyl)benzoic acid
CasNumber: 90222-79-0
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD10693707
Smiles: OC(=O)c1cc(ccc1N)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB61085
ChemicalName:
2-Amino-5-(methylsulfonyl)benzoic acid
CasNumber:
90222-79-0
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD10693707
Smiles:
OC(=O)c1cc(ccc1N)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AB61086
ChemicalName: 2-Amino-5-(methylsulfonyl)pyridine
CasNumber: 35196-11-3
MolecularFormula: C6H8N2O2S
MolecularWeight: 172.2049
MdlNumber: MFCD09946387
Smiles: Nc1ccc(cn1)S(=O)(=O)C
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB61086
ChemicalName:
2-Amino-5-(methylsulfonyl)pyridine
CasNumber:
35196-11-3
MolecularFormula:
C6H8N2O2S
MolecularWeight:
172.2049
MdlNumber:
MFCD09946387
Smiles:
Nc1ccc(cn1)S(=O)(=O)C
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: AB61087
ChemicalName: 2-Amino-5-trifluoromethylpyridine
CasNumber: 74784-70-6
MolecularFormula: C6H5F3N2
MolecularWeight: 162.1125
MdlNumber: MFCD00042164
Smiles: Nc1ccc(cn1)C(F)(F)F
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB61087
ChemicalName:
2-Amino-5-trifluoromethylpyridine
CasNumber:
74784-70-6
MolecularFormula:
C6H5F3N2
MolecularWeight:
162.1125
MdlNumber:
MFCD00042164
Smiles:
Nc1ccc(cn1)C(F)(F)F
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc(N)[nH]c(=O)c1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(N)[nH]c(=O)c1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__