Basic information
- CAS
61031-72-9- Standard SMILES
O=C(O)C(Cl)(Cl)c1ccccc1- InChIKey
MENJBAPSEVYSIK-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- alpha,alpha-Dichlorophenylacetic acid
- IUPAC
- 2,2-dichloro-2-phenylacetic acid
- English name
- α,α-Dichlorophenylacetic acid
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
ALPHA,ALPHA-DICHLOROPHENYLACETIC ACID61031-72-9DTXSID50209905RefChem:318137DTXCID601323962,2-dichloro-2-phenylacetic aciddichlorophenylacetic acidSCHEMBL2547243SCHEMBL6961047DICHLORO(PHENYL)ACETIC ACIDDB-309500α,α-Dichlorophenylacetic acid
Show more names
α,α-Dichlorobenzeneacetic acidBenzeneacetic acid, α,α-dichloro-
Database identifiers
- CAS
61031-72-9- PubChem CID
- 43524
- DTXSID
DTXSID50209905- Nikkaji
- J90.126A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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