o-Chlorophenol chloroacetate
Basic information
- CAS
1778-95-6- Standard SMILES
O=C(CCl)Oc1ccccc1Cl- InChIKey
JXRKGLWMAJPFNL-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- o-Chlorophenol chloroacetate
- IUPAC
- (2-chlorophenyl) 2-chloroacetate
- English name
- Chloroacetic acid 2-chlorophenyl ester
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
o-Chlorophenol chloroacetatePhenol, o-chloro-, chloroacetateAI3-23255NSC 8202BRN 2259748DTXSID301703813-06-00-00677 (Beilstein Handbook Reference)Chloroacetic acid, 2-chlorophenyl esterRefChem:366395DTXCID5092872JXRKGLWMAJPFNL-UHFFFAOYSA-N1778-95-6
Show more names
Chloroacetic acid 2-chlorophenyl ester
o-Chlorophenyl-alpha-chloroacetateAcetic acid, chloro-, o-chlorophenyl esterAcetic acid, chloro-, 2-chlorophenyl esterAcetic acid, 2-chloro-, 2-chlorophenyl ester2-Chlorophenyl chloroacetateCVL3T336JJNSC-8202o-Chlorophenyl-.alpha.-chloroacetate
Database identifiers
- CAS
1778-95-6- PubChem CID
- 94916
- DTXSID
DTXSID30170381- UNII
- CVL3T336JJ
- Nikkaji
- J50.120D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 123 · 123-125 °C
- Density
- 1.3589 g/cm3 · 1.3589 g/cm3(Temp: 25 °C)
- FDA UNII
- 3 T336JJ · CVL3T336JJ
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…