AH85621
89938-62-5 | 2-Chloro-5-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH85621
ChemicalName
2-Chloro-5-(methylsulfonyl)benzoic acid
CasNumber
89938-62-5
MolecularFormula
C8H7ClO4S
MolecularWeight
234.6568
MdlNumber
MFCD02711523
Smiles
OC(=O)c1cc(ccc1Cl)S(=O)(=O)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AH85621
ChemicalName: 2-Chloro-5-(methylsulfonyl)benzoic acid
CasNumber: 89938-62-5
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.6568
MdlNumber: MFCD02711523
Smiles: OC(=O)c1cc(ccc1Cl)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AH85621
ChemicalName:
2-Chloro-5-(methylsulfonyl)benzoic acid
CasNumber:
89938-62-5
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.6568
MdlNumber:
MFCD02711523
Smiles:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C1=CCN(CC1)C(=O)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:
Oc1ccc(cc1)C1=CCN(CC1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1ccnc(n1)N1CCC(CC1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
COc1ccnc(n1)N1CCC(CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: NNC(=O)Cc1scc(n1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NNC(=O)Cc1scc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__