Basic information
- CAS
712-91-4- Standard SMILES
CC(Cc1ccccc1Cl)OC(N)=O- InChIKey
JHZISMYMEAAHJP-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
- IUPAC
- 1-(2-chlorophenyl)propan-2-yl carbamate
- English name
- Carbamic acid o-chloro-α-methylphenethyl ester
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
712-91-4DTXSID109915161-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidateRefChem:1053950DTXCID901418598MH 1666BRN 1875134CARBAMIC ACID, o-CHLORO-alpha-METHYLPHENETHYL ESTERSCHEMBL23347648JHZISMYMEAAHJP-UHFFFAOYSA-NCarbamic acid o-chloro-α-methylphenethyl esterBenzeneethanol, 2-chloro-α-methyl-, 1-carbamate
Database identifiers
- CAS
712-91-4- PubChem CID
- 12839
- DTXSID
DTXSID10991516- Nikkaji
- J42.871J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in mouse: 900mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: 900mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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