AG30569
51522-07-7 | 4-Chloro-3-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG30569
ChemicalName
4-Chloro-3-(methylsulfonyl)benzoic acid
CasNumber
51522-07-7
MolecularFormula
C8H7ClO4S
MolecularWeight
234.65678000000005
MdlNumber
MFCD06342742
Smiles
OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AG30569
ChemicalName: 4-Chloro-3-(methylsulfonyl)benzoic acid
CasNumber: 51522-07-7
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.65678000000005
MdlNumber: MFCD06342742
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG30569
ChemicalName:
4-Chloro-3-(methylsulfonyl)benzoic acid
CasNumber:
51522-07-7
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.65678000000005
MdlNumber:
MFCD06342742
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COc1cc2c(ccnc2cc1O)Oc1ccc(cc1F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc2c(ccnc2cc1O)Oc1ccc(cc1F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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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: __
MolecularWeight: __
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Smiles: CCOc1ccc(cc1)c1ccc(cc1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOc1ccc(cc1)c1ccc(cc1)C(=O)C
Complexity:
__
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: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)c1ccc(=O)[nH]c1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)c1ccc(=O)[nH]c1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__