Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester
Basic information
- CAS
152-15-8- Standard SMILES
CC(C)(NC(=O)CBr)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
VTKZIHPOQVIAAC-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O5
- Average molar mass
- 345.15 g/mol
- Monoisotopic mass
- 344.00078362
Names & identifiers
- Preferred name
- Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 2-[(2-bromoacetyl)amino]-2-methylpropanoate
Names & synonyms
152-15-8Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester4-nitrophenyl n-(bromoacetyl)-2-methylalaninateNSC67937NSC 67937DTXSID70164926NSC-67937
Database identifiers
- CAS
152-15-8- PubChem CID
- 96333
- DTXSID
DTXSID70164926
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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