Basic information
- CAS
5513-20-2- Standard SMILES
CCCC(C)OC(=O)Nc1cccc(Cl)c1- InChIKey
NURAPFQDXWCCIJ-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- 1-Methylbutyl 3-chlorophenylcarbamate
- IUPAC
- pentan-2-yl N-(3-chlorophenyl)carbamate
Names & synonyms
NURAPFQDXWCCIJ-UHFFFAOYSA-NNSC407162NSC-4071621-Methylbutyl 3-chlorophenylcarbamate #Carbanilic acid, m-chloro-, 1-methylbutyl ester
Database identifiers
- CAS
5513-20-2- PubChem CID
- 348103
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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