Basic information
- CAS
54232-04-1- Standard SMILES
CC(=O)Oc1cnc(Cl)c(C)c1- InChIKey
WMBNONRWJWUNRC-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- 6-Chloro-5-methylpyridin-3-yl acetate
- IUPAC
- (6-chloro-5-methyl-3-pyridinyl) acetate
- English name
- 3-Pyridinol, 6-chloro-5-methyl-, acetate (ester)
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
54232-04-16-Chloro-5-methylpyridin-3-yl acetate(6-chloro-5-methylpyridin-3-yl) acetate3-Pyridinol, 6-chloro-5-methyl-, acetate (ester)3-Pyridinol, 6-chloro-5-methyl-, 3-acetateSCHEMBL6583226DTXSID30618571WMBNONRWJWUNRC-UHFFFAOYSA-N5-acetoxy-2-chloro-3-methylpyridine6-chloro-5-methylpyridine-3-yl acetateDB-050280
Database identifiers
- CAS
54232-04-1- PubChem CID
- 21828869
- DTXSID
DTXSID30618571
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Chemistry & industry
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
Related reactions
6 records
Compound notes
Loading…