Basic information
- CAS
17199-30-3- Standard SMILES
CC(=O)COc1ccc(Cl)cc1Cl- InChIKey
MQYQBKDURLWQTF-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O2
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 217.9901349
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenoxy)-2-propanone
- IUPAC
- 1-(2,4-dichlorophenoxy)propan-2-one
- English name
- 1-(2,4-dichlorophenoxy)propan-2-one
- Molecular formula
- C9H8Cl2O2
- Molecular weight
- 0
Names & synonyms
17199-30-32,4-Dichlorophenoxyacetone2-Propanone, 1-(2,4-dichlorophenoxy)-J5U4PTN9ZZNSC-496101-(2,4-DICHLOROPHENOXY)-2-PROPANONEDTXSID50169196RefChem:1053823DTXCID60916871-(2,4-dichlorophenoxy)propan-2-one(2,4-Dichlorophenoxy)-2-propanoneNSC 49610
Show more names
BRN 1963749NSC49610Maybridge1_000792UNII-J5U4PTN9ZZ4-06-00-00902 (Beilstein Handbook Reference)SCHEMBL9974137HMS543L222-Propanone,4-dichlorophenoxy)-
Database identifiers
- CAS
17199-30-3- PubChem CID
- 96043
- DTXSID
DTXSID50169196- UNII
- J5U4PTN9ZZ
- Nikkaji
- J51.016E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- FDA UNII
- 5 U4PTN9ZZ · J5U4PTN9ZZ
Chemistry & industry
Suppliers1 total
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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