AD95736
84-57-1 | 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AD95736
ChemicalName
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate
CasNumber
84-57-1
MolecularFormula
C10H8Cl2N2O4S
MolecularWeight
323.15252
MdlNumber
MFCD00035706
Smiles
CC1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(=O)(=O)O
NscNumber
50666
Complexity
516
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AD95736
ChemicalName: 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate
CasNumber: 84-57-1
MolecularFormula: C10H8Cl2N2O4S
MolecularWeight: 323.15252
MdlNumber: MFCD00035706
Smiles: CC1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(=O)(=O)O
NscNumber: 50666
Complexity: 516
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AD95736
ChemicalName:
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate
CasNumber:
84-57-1
MolecularFormula:
C10H8Cl2N2O4S
MolecularWeight:
323.15252
MdlNumber:
MFCD00035706
Smiles:
CC1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(=O)(=O)O
NscNumber:
50666
Complexity:
516
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
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Smiles: Fc1ccc2c(c1)CNS2(=O)=O
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Smiles:
Fc1ccc2c(c1)CNS2(=O)=O
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Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Fc1cc(c(cc1F)F)S(=O)(=O)C
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Complexity: 272
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1cc(c(cc1F)F)S(=O)(=O)C
NscNumber:
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Complexity:
272
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
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MolecularWeight: __
MdlNumber: __
Smiles: CN(c1scc(n1)c1ccc(cc1)C(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CN(c1scc(n1)c1ccc(cc1)C(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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