1-Chloro-3-nitrobutan-2-yl acetate
Basic information
- CAS
5437-70-7- Standard SMILES
CC(=O)OC(CCl)C(C)[N+](=O)[O-]- InChIKey
GZWDBGDEXHAGCY-UHFFFAOYSA-N- Molecular formula
- C6H10ClNO4
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0298355
Names & identifiers
- Preferred name
- 1-Chloro-3-nitrobutan-2-yl acetate
- IUPAC
- (1-chloro-3-nitrobutan-2-yl) acetate
Names & synonyms
5437-70-71-chloro-3-nitrobutan-2-yl acetateNSC161812-Butanol,1-chloro-3-nitro-, 2-acetateDTXSID10280270NSC-16181DS-013041
Database identifiers
- CAS
5437-70-7- PubChem CID
- 226091
- DTXSID
DTXSID10280270
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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