AA24112
1194374-30-5 | 2'-(Methylsulfonyl)biphenyl-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA24112
ChemicalName
2'-(Methylsulfonyl)biphenyl-3-carboxylic acid
CasNumber
1194374-30-5
MolecularFormula
C14H12O4S
MolecularWeight
276.3077
MdlNumber
MFCD11840321
Smiles
OC(=O)c1cccc(c1)c1ccccc1S(=O)(=O)C
Complexity
423
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AA24112
ChemicalName: 2'-(Methylsulfonyl)biphenyl-3-carboxylic acid
CasNumber: 1194374-30-5
MolecularFormula: C14H12O4S
MolecularWeight: 276.3077
MdlNumber: MFCD11840321
Smiles: OC(=O)c1cccc(c1)c1ccccc1S(=O)(=O)C
Complexity: 423
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AA24112
ChemicalName:
2'-(Methylsulfonyl)biphenyl-3-carboxylic acid
CasNumber:
1194374-30-5
MolecularFormula:
C14H12O4S
MolecularWeight:
276.3077
MdlNumber:
MFCD11840321
Smiles:
OC(=O)c1cccc(c1)c1ccccc1S(=O)(=O)C
Complexity:
423
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
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MolecularFormula: __
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Smiles: COC(=O)c1cccc(c1)c1cncc(n1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1cccc(c1)c1cncc(n1)Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1c(N)sc2c1nc(Cl)cc2
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Smiles:
CCOC(=O)c1c(N)sc2c1nc(Cl)cc2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1sc(c(n1)C(=O)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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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:
Brc1sc(c(n1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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