AI61020
91182-60-4 | 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61020
ChemicalName
5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
CasNumber
91182-60-4
MolecularFormula
C11H8BrNO3
MolecularWeight
282.09012
MdlNumber
MFCD16447083
Smiles
Brc1ccc(cc1)c1onc(c1C(=O)O)C
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI61020
ChemicalName: 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
CasNumber: 91182-60-4
MolecularFormula: C11H8BrNO3
MolecularWeight: 282.09012
MdlNumber: MFCD16447083
Smiles: Brc1ccc(cc1)c1onc(c1C(=O)O)C
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI61020
ChemicalName:
5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid
CasNumber:
91182-60-4
MolecularFormula:
C11H8BrNO3
MolecularWeight:
282.09012
MdlNumber:
MFCD16447083
Smiles:
Brc1ccc(cc1)c1onc(c1C(=O)O)C
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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MolecularFormula: __
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Smiles: COC(=O)C(=O)c1c[nH]c2c1ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)C(=O)c1c[nH]c2c1ccc(c2)Cl
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)c1onc(c1C(=O)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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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:
Clc1ccc(cc1)c1onc(c1C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NC1CCOCCC1
Complexity: __
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HydrogenBondAcceptorCount: __
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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:
NC1CCOCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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