Basic information
- CAS
24911-37-3- Standard SMILES
C#CCNC(=O)c1ccc(Cl)cc1- InChIKey
HVGGGWWCXFNXPI-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.0294416
Names & identifiers
- Preferred name
- 4-Chloro-n-(prop-2-yn-1-yl)benzamide
- IUPAC
- 4-chloro-N-prop-2-ynylbenzamide
Names & synonyms
4-chloro-n-(prop-2-yn-1-yl)benzamide24911-37-3Benzamide, 4-chloro-N-2-propynyl-Benzamide, p-chloro-N-2-propynyl-4-Chlorophenylcarbamic acid 2-propynyl esterSCHEMBL18704329DTXSID00947800AKOS008956310Z52403935
Database identifiers
- CAS
24911-37-3- PubChem CID
- 186089
- DTXSID
DTXSID00947800- Nikkaji
- J2.812.669G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…