Basic information
- CAS
2917-19-3- Standard SMILES
CCC(C)c1ccc(Cl)c(OC(=O)NC)c1- InChIKey
UMLPZOSFQDBWHB-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
- IUPAC
- (5-butan-2-yl-2-chlorophenyl) N-methylcarbamate
Names & synonyms
2917-19-3CARBAMIC ACID, METHYL-, 5-sec-BUTYL-2-CHLOROPHENYL ESTERRefChem:10809272-Chloro-5-(1-methylpropyl)phenol methylcarbamateOrtho-5655Chevron RE 5655Cal Chem 5655RE 5655ENT 27,128AI3-271282-Chloro-5-(1-methylpropyl)phenyl methylcarbamate3-(1-Methylpropyl)-6-chlorophenyl methylcarbamate
Show more names
Phenol, 2-chloro-5-(1-methylpropyl)-, methylcarbamateCarbamic acid, methyl-, 3-sec-butyl-6-chlorophenyl esterCarbamic acid, methyl-, 2-chloro-5-(1-methylpropyl)phenyl esterDTXSID609517662-Chloro-5-(1-methylpropyl)phenol 1-(N-methylcarbamate)5-(Butan-2-yl)-2-chlorophenyl hydrogen methylcarbonimidate
Database identifiers
- CAS
2917-19-3- PubChem CID
- 18014
- DTXSID
DTXSID60951766- Nikkaji
- J13.721I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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