AF94909
338982-11-9 | 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF94909
ChemicalName
3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CasNumber
338982-11-9
MolecularFormula
C10H6ClNO3
MolecularWeight
223.6125
MdlNumber
MFCD01935955
Smiles
Clc1ccc(cc1)c1noc(c1)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AF94909
ChemicalName: 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CasNumber: 338982-11-9
MolecularFormula: C10H6ClNO3
MolecularWeight: 223.6125
MdlNumber: MFCD01935955
Smiles: Clc1ccc(cc1)c1noc(c1)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF94909
ChemicalName:
3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CasNumber:
338982-11-9
MolecularFormula:
C10H6ClNO3
MolecularWeight:
223.6125
MdlNumber:
MFCD01935955
Smiles:
Clc1ccc(cc1)c1noc(c1)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: FC(c1ncnc(c1C)Cl)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
FC(c1ncnc(c1C)Cl)F
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RotatableBondCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CNCCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__