AD47874
104776-74-1 | Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD47874
ChemicalName
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
CasNumber
104776-74-1
MolecularFormula
C8H8BrNO4
MolecularWeight
262.0574
MdlNumber
MFCD00173773
Smiles
CCOC(=O)c1noc(c1)C(=O)CBr
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
1.7
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CatalogNumber: AD47874
ChemicalName: Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
CasNumber: 104776-74-1
MolecularFormula: C8H8BrNO4
MolecularWeight: 262.0574
MdlNumber: MFCD00173773
Smiles: CCOC(=O)c1noc(c1)C(=O)CBr
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AD47874
ChemicalName:
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
CasNumber:
104776-74-1
MolecularFormula:
C8H8BrNO4
MolecularWeight:
262.0574
MdlNumber:
MFCD00173773
Smiles:
CCOC(=O)c1noc(c1)C(=O)CBr
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)C(=O)N1CCOCC1
Complexity: 227
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1cccc(c1)C(=O)N1CCOCC1
Complexity:
227
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(Cc1ccccc1)N[C@H](C(=O)N)CCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
O=C(Cc1ccccc1)N[C@H](C(=O)N)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__