AE42902
1429-44-3 | 4-Chloro-3-[(methylamino)sulfonyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE42902
ChemicalName
4-Chloro-3-[(methylamino)sulfonyl]benzoic acid
CasNumber
1429-44-3
MolecularFormula
C8H8ClNO4S
MolecularWeight
249.6714
MdlNumber
MFCD03423703
Smiles
CNS(=O)(=O)c1cc(ccc1Cl)C(=O)O
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AE42902
ChemicalName: 4-Chloro-3-[(methylamino)sulfonyl]benzoic acid
CasNumber: 1429-44-3
MolecularFormula: C8H8ClNO4S
MolecularWeight: 249.6714
MdlNumber: MFCD03423703
Smiles: CNS(=O)(=O)c1cc(ccc1Cl)C(=O)O
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AE42902
ChemicalName:
4-Chloro-3-[(methylamino)sulfonyl]benzoic acid
CasNumber:
1429-44-3
MolecularFormula:
C8H8ClNO4S
MolecularWeight:
249.6714
MdlNumber:
MFCD03423703
Smiles:
CNS(=O)(=O)c1cc(ccc1Cl)C(=O)O
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(OCC(C(F)F)(F)F)ccc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1cc(OCC(C(F)F)(F)F)ccc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COc1ccc(cc1)n1cnnc1S
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)n1cnnc1S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: Oc1cccc(c1)CP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc(c1)CP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__