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Basic information
- CAS
60634-63-1- Standard SMILES
NC(=O)OC(CCl)Cc1ccccc1- InChIKey
FIVDTHQNVVFVLG-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- Carbamic acid, alpha-(chloromethyl)phenethyl ester
- IUPAC
- (1-chloro-3-phenylpropan-2-yl) carbamate
- English name
- α-(Chloromethyl)phenethyl=carbamate
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
60634-63-1CARBAMIC ACID, alpha-(CHLOROMETHYL)PHENETHYL ESTERRefChem:1080868alpha-(Chloromethyl)phenethyl carbamateMH 1600BRN 2110832SCHEMBL29403051DTXSID309760671-Chloro-3-phenylpropan-2-yl hydrogen carbonimidateMH-1600α-(Chloromethyl)phenethyl=carbamateBenzeneethanol, α-(chloromethyl)-, carbamate (9CI)
Database identifiers
- CAS
60634-63-1- PubChem CID
- 43379
- Nikkaji
- J67.553I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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