2,2-Dichlorobutanoic acid
Basic information
- CAS
13023-00-2- Standard SMILES
CCC(Cl)(Cl)C(=O)O- InChIKey
OBLYWUBMZGHQDN-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2O2
- Average molar mass
- 156.99 g/mol
- Monoisotopic mass
- 155.9744848
Names & identifiers
- Preferred name
- 2,2-Dichlorobutanoic acid
- IUPAC
- 2,2-dichlorobutanoic acid
- English name
- 2,2-Dichlorobutanoic acid
- Molecular formula
- C4H6Cl2O2
- Molecular weight
- 157
Names & synonyms
2,2-Dichlorobutanoic acid13023-00-27KMA34C9N2DTXSID8021567RefChem:1059076DTXCID7015672,2-DICHLOROBUTYRIC ACIDButanoic acid, 2,2-dichloro-Butyric acid, 2,2-dichloro-2,2-Dichlorobutanoic acid #SCHEMBL1708069SCHEMBL10470535
Show more names
OBLYWUBMZGHQDN-UHFFFAOYSA-NNS00123964
Database identifiers
- CAS
13023-00-2- PubChem CID
- 17290
- DTXSID
DTXSID8021567- UNII
- 7KMA34C9N2
- Nikkaji
- J100.844G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 218.43 °C · 218.43°C (rough estimate)
- Density
- 1.389 · 1.3890
- refractive index
- 1.4456 · 1.4456 (estimate)
- pka
- 1 · 1+-.0.18(Predicted)
Chemistry & industry
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