AB34156
28547-13-9 | 3-(Methanesulfonylamino)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB34156
ChemicalName
3-(Methanesulfonylamino)benzoic acid
CasNumber
28547-13-9
MolecularFormula
C8H9NO4S
MolecularWeight
215.2264
MdlNumber
MFCD00596197
Smiles
OC(=O)c1cccc(c1)NS(=O)(=O)C
NscNumber
15499
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AB34156
ChemicalName: 3-(Methanesulfonylamino)benzoic acid
CasNumber: 28547-13-9
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD00596197
Smiles: OC(=O)c1cccc(c1)NS(=O)(=O)C
NscNumber: 15499
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB34156
ChemicalName:
3-(Methanesulfonylamino)benzoic acid
CasNumber:
28547-13-9
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD00596197
Smiles:
OC(=O)c1cccc(c1)NS(=O)(=O)C
NscNumber:
15499
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)Nc1cccc(c1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)Nc1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)Nc1ccc(cc1)C(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)Nc1ccc(cc1)C(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB34161
ChemicalName: 1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
CasNumber: 28544-83-4
MolecularFormula: C9H10N2O
MolecularWeight: 162.1885
MdlNumber: MFCD09832126
Smiles: O=C1NCCNc2c1cccc2
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB34161
ChemicalName:
1,2,3,4-Tetrahydro-1,4-benzodiazepin-5-one
CasNumber:
28544-83-4
MolecularFormula:
C9H10N2O
MolecularWeight:
162.1885
MdlNumber:
MFCD09832126
Smiles:
O=C1NCCNc2c1cccc2
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1