AG16848
517870-22-3 | Methyl 5-tert-butylisoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG16848
ChemicalName
Methyl 5-tert-butylisoxazole-3-carboxylate
CasNumber
517870-22-3
MolecularFormula
C9H13NO3
MolecularWeight
183.2044
MdlNumber
MFCD03778975
Smiles
COC(=O)c1noc(c1)C(C)(C)C
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AG16848
ChemicalName: Methyl 5-tert-butylisoxazole-3-carboxylate
CasNumber: 517870-22-3
MolecularFormula: C9H13NO3
MolecularWeight: 183.2044
MdlNumber: MFCD03778975
Smiles: COC(=O)c1noc(c1)C(C)(C)C
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AG16848
ChemicalName:
Methyl 5-tert-butylisoxazole-3-carboxylate
CasNumber:
517870-22-3
MolecularFormula:
C9H13NO3
MolecularWeight:
183.2044
MdlNumber:
MFCD03778975
Smiles:
COC(=O)c1noc(c1)C(C)(C)C
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCn1nc(c(c1C)/C=C/C(=O)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCn1nc(c(c1C)/C=C/C(=O)O)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1onc(c1)c1ccc(c(c1)Cl)Cl
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Smiles:
Nc1onc(c1)c1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC2=NC(=C(N2C=C1)C=O)C3=CC=C(C=C3)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC2=NC(=C(N2C=C1)C=O)C3=CC=C(C=C3)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__