Basic information
- CAS
27933-26-2- Standard SMILES
O=C(CCl)COC(=O)c1ccccc1- InChIKey
LRCCOISSUIDSEU-UHFFFAOYSA-N- Molecular formula
- C10H9ClO3
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.0240218
Names & identifiers
- Preferred name
- Benzoic acid, chloroacetylmethyl ester
- IUPAC
- (3-chloro-2-oxopropyl) benzoate
- English name
- Benzoic acid 3-chloro-2-oxopropyl ester
- Molecular formula
- C10H9ClO3
- Molecular weight
- 212.63
Names & synonyms
Chlorohydroxyacetone benzoateBENZOIC ACID, CHLOROACETYLMETHYL ESTER1-Benzoyloxy-3-chloropropan-2-one27933-26-2BRN 22650382-Propanone, 1-chloro-3-hydroxy-, benzoateDTXSID20182216RefChem:327711DTXCID301047073-chloro-2-oxopropyl benzoateSCHEMBL3829668CHEMBL3276486
Show more names
1-benzoyloxy-3-chloroacetone2-Propanone, 1-(benzoyloxy)-3-chloro-Benzoic acid 3-chloro-2-oxopropyl ester
LRCCOISSUIDSEU-UHFFFAOYSA-N1-benzoyloxy-3-chloro-2-propanon1-(benzoyloxy)-3-chloro-2-propanoneDB-373094
Database identifiers
- CAS
27933-26-2- PubChem CID
- 34071
- DTXSID
DTXSID20182216- ChEMBL
CHEMBL3276486- Nikkaji
- J41.214G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Suppliers4 total
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
桂林艾使普林生物科技有限公司15920419256 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
Related reactions
1 records
Compound notes
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