AA32910
1197193-45-5 | 3-Chloro-4-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA32910
ChemicalName
3-Chloro-4-(methylsulfonyl)benzoic acid
CasNumber
1197193-45-5
MolecularFormula
C8H7ClO4S
MolecularWeight
234.6568
MdlNumber
MFCD13191622
Smiles
OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AA32910
ChemicalName: 3-Chloro-4-(methylsulfonyl)benzoic acid
CasNumber: 1197193-45-5
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.6568
MdlNumber: MFCD13191622
Smiles: OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AA32910
ChemicalName:
3-Chloro-4-(methylsulfonyl)benzoic acid
CasNumber:
1197193-45-5
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.6568
MdlNumber:
MFCD13191622
Smiles:
OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CN1CCN(CC1)c1cc(Cl)ccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CN1CCN(CC1)c1cc(Cl)ccc1C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=Cc1ccc(cc1F)N1CCN(CC1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=Cc1ccc(cc1F)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(Nc1ccc(nn1)C(=O)O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(nn1)C(=O)O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__