Basic information
- CAS
32496-40-5- Standard SMILES
C#CCOC(=O)Nc1cc(Cl)ccc1C- InChIKey
VFRTXLLPFLJJGO-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO2
- Average molar mass
- 223.65 g/mol
- Monoisotopic mass
- 223.0400063
Names & identifiers
- Preferred name
- Carbamic acid, N-(5-chloro-o-tolyl)-, 2-propynyl ester
- IUPAC
- prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamate
- English name
- N-(5-Chloro-2-methylphenyl)carbamic acid 2-propynyl ester
- Molecular formula
- C11H10ClNO2
- Molecular weight
- 223.66
Names & synonyms
32496-40-5CARBAMIC ACID, N-(5-CHLORO-o-TOLYL)-, 2-PROPYNYL ESTERCarbanilic acid, 5-chloro-2-methyl-, 2-propynyl esterNSC-743888CYE7U5ZKLDTXSID50186222RefChem:1080958DTXCID60108713N-(5-Chloro-o-tolyl)carbamic acid 2-propynyl esterNSC 74388prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamateBRN 2374139
Show more names
Carbanilic acid, 5-chloro-2-methyl-, 2-propynyl ester (7CI,8CI)
NSC74388prop-2-yn-1-yl (5-chloro-2-methylphenyl)carbamateWLN: GR D1 CMVO2UU1N-(5-Chloro-2-methylphenyl)carbamic acid 2-propynyl esterCarbanilic acid, 2-propynyl ester
Database identifiers
- CAS
32496-40-5- PubChem CID
- 36150
- DTXSID
DTXSID50186222- UNII
- 8CYE7U5ZKL
- Nikkaji
- J42.873F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 272.5 · 272.5±40.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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