propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate
Basic information
- CAS
6328-96-7- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC(=O)OC(C)C- InChIKey
KUDVVCYZBYADNX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.09027155
Names & identifiers
- Preferred name
- propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate
- IUPAC
- propan-2-yl N-(2-methoxy-5-nitrophenyl)carbamate
Names & synonyms
6328-96-7NSC44023DTXSID60979364NSC-44023Propan-2-yl hydrogen (2-methoxy-5-nitrophenyl)carbonimidate
Database identifiers
- CAS
6328-96-7- PubChem CID
- 239186
- DTXSID
DTXSID60979364
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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