AG30263
4837-22-3 | 4-(Difluoro-methanesulfonyl)-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG30263
ChemicalName
4-(Difluoro-methanesulfonyl)-benzoic acid
CasNumber
4837-22-3
MolecularFormula
C8H6F2O4S
MolecularWeight
236.1926
MdlNumber
MFCD00766762
Smiles
FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AG30263
ChemicalName: 4-(Difluoro-methanesulfonyl)-benzoic acid
CasNumber: 4837-22-3
MolecularFormula: C8H6F2O4S
MolecularWeight: 236.1926
MdlNumber: MFCD00766762
Smiles: FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AG30263
ChemicalName:
4-(Difluoro-methanesulfonyl)-benzoic acid
CasNumber:
4837-22-3
MolecularFormula:
C8H6F2O4S
MolecularWeight:
236.1926
MdlNumber:
MFCD00766762
Smiles:
FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: CCOC(=O)N1CCN(CC1)CC(=O)c1cccc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)N1CCN(CC1)CC(=O)c1cccc(c1)Cl
Complexity:
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(c1ccccc1C(=O)N1CCOCC1)Cc1ccccc1
Complexity: __
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Smiles:
O=C(c1ccccc1C(=O)N1CCOCC1)Cc1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CCC(=O)NC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CCC(=O)NC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__