AI62277
931377-09-2 | 4-[(4-Fluorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62277
ChemicalName
4-[(4-Fluorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
CasNumber
931377-09-2
MolecularFormula
C12H10FNO4
MolecularWeight
251.2105
MdlNumber
MFCD06805572
Smiles
Fc1ccc(cc1)OCc1c(C)onc1C(=O)O
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AI62277
ChemicalName: 4-[(4-Fluorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
CasNumber: 931377-09-2
MolecularFormula: C12H10FNO4
MolecularWeight: 251.2105
MdlNumber: MFCD06805572
Smiles: Fc1ccc(cc1)OCc1c(C)onc1C(=O)O
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AI62277
ChemicalName:
4-[(4-Fluorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
CasNumber:
931377-09-2
MolecularFormula:
C12H10FNO4
MolecularWeight:
251.2105
MdlNumber:
MFCD06805572
Smiles:
Fc1ccc(cc1)OCc1c(C)onc1C(=O)O
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCOC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: C1CCC(C1)C(C=O)C2=CC=C(C=C2)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
C1CCC(C1)C(C=O)C2=CC=C(C=C2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: CC(C(=O)N)Oc1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)N)Oc1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__