Basic information
- CAS
4835-21-6- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)OCC#CCCl- InChIKey
OMSSGXSUXDPMMK-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O4
- Average molar mass
- 268.65 g/mol
- Monoisotopic mass
- 268.0250845
Names & identifiers
- Preferred name
- 4-chlorobut-2-ynyl N-(3-nitrophenyl)carbamate
- IUPAC
- 4-chlorobut-2-ynyl N-(3-nitrophenyl)carbamate
Names & synonyms
4835-21-6NSC29178DTXSID10964048NSC-291784-Chlorobut-2-yn-1-yl hydrogen (3-nitrophenyl)carbonimidate
Database identifiers
- CAS
4835-21-6- PubChem CID
- 232132
- DTXSID
DTXSID10964048
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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