AC78829
97517-66-3 | tert-Butyl 5-methylisoxazol-3-ylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AC78829
ChemicalName
tert-Butyl 5-methylisoxazol-3-ylcarbamate
CasNumber
97517-66-3
MolecularFormula
C9H14N2O3
MolecularWeight
198.2191
MdlNumber
MFCD11976787
Smiles
O=C(OC(C)(C)C)Nc1noc(c1)C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AC78829
ChemicalName: tert-Butyl 5-methylisoxazol-3-ylcarbamate
CasNumber: 97517-66-3
MolecularFormula: C9H14N2O3
MolecularWeight: 198.2191
MdlNumber: MFCD11976787
Smiles: O=C(OC(C)(C)C)Nc1noc(c1)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AC78829
ChemicalName:
tert-Butyl 5-methylisoxazol-3-ylcarbamate
CasNumber:
97517-66-3
MolecularFormula:
C9H14N2O3
MolecularWeight:
198.2191
MdlNumber:
MFCD11976787
Smiles:
O=C(OC(C)(C)C)Nc1noc(c1)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: BrCC(=O)c1cc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
BrCC(=O)c1cc2c(s1)cccc2
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C#CCn1c(=O)oc(=O)c2c1nccc2
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Smiles:
C#CCn1c(=O)oc(=O)c2c1nccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#CNC1=NCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CNC1=NCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__