Basic information
- CAS
67049-72-3- Standard SMILES
COC(=O)N(CCCl)[N+](=O)[O-]- InChIKey
WVIOMWUTPSKREM-UHFFFAOYSA-N- Molecular formula
- C4H7ClN2O4
- Average molar mass
- 182.56 g/mol
- Monoisotopic mass
- 182.0094344
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-chloroethyl)-N-nitro-, methyl ester
- IUPAC
- methyl N-(2-chloroethyl)-N-nitrocarbamate
- English name
- N-(2-Chloroethyl)-N-nitrocarbamic acid methyl ester
- Molecular formula
- C4H7ClN2O4
- Molecular weight
- 182.56
Names & synonyms
CARBAMIC ACID, N-(2-CHLOROETHYL)-N-NITRO-, METHYL ESTER67049-72-3TL 387BRN 1779714Methyl N-(beta-chloroethyl)-N-nitrocarbamateDTXSID00217333Methyl (2-chloroethyl)(nitro)carbamateTL-387N-(2-Chloroethyl)-N-nitrocarbamic acid methyl esterCarbamic acid, (2-chloroethyl)nitro-, methyl ester (9CI)
Database identifiers
- CAS
67049-72-3- PubChem CID
- 49095
- DTXSID
DTXSID00217333- Nikkaji
- J67.546F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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