Basic information
- CAS
6341-98-6- Standard SMILES
CC(=O)Oc1c(C)cccc1Cl- InChIKey
IRDNJGWKZWNWCV-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- Phenol, 2-chloro-6-methyl-, acetate
- IUPAC
- (2-chloro-6-methylphenyl) acetate
- English name
- Acetic acid 2-chloro-6-methylphenyl ester
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
2-Chloro-6-methylphenyl acetatePhenol, 2-chloro-6-methyl-, acetate6341-98-6o-Cresol, 6-chloro-, acetate2-Chloro-6-methylphenol acetateAI3-18334DTXSID40212827NSC 48670RefChem:172754DTXCID70135318IRDNJGWKZWNWCV-UHFFFAOYSA-NNSC48670
Show more names
(2-chloro-6-methylphenyl) acetatePhenol, 2-chloro-6-methyl-, 1-acetate
Acetic acid 2-chloro-6-methylphenyl esterSCHEMBL9501805NSC-486705013-72-9
Database identifiers
- CAS
6341-98-6- PubChem CID
- 80649
- DTXSID
DTXSID40212827- Nikkaji
- J99.468E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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