AI61872
925006-96-8 | Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI61872
ChemicalName
Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
CasNumber
925006-96-8
MolecularFormula
C13H13NO4
MolecularWeight
247.24662
MdlNumber
MFCD08446406
Smiles
CCOC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AI61872
ChemicalName: Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
CasNumber: 925006-96-8
MolecularFormula: C13H13NO4
MolecularWeight: 247.24662
MdlNumber: MFCD08446406
Smiles: CCOC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AI61872
ChemicalName:
Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
CasNumber:
925006-96-8
MolecularFormula:
C13H13NO4
MolecularWeight:
247.24662
MdlNumber:
MFCD08446406
Smiles:
CCOC(=O)c1noc(c1)c1ccc(cc1)OC
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.6
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Smiles: NC1CCCCC1=O.Br
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
NC1CCCCC1=O.Br
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RotatableBondCount:
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Smiles: Brc1ccc2c(c1)cc(c(n2)C)C(=O)O
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Smiles:
Brc1ccc2c(c1)cc(c(n2)C)C(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1
Complexity: __
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Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__