Basic information
- CAS
82516-66-3- Standard SMILES
C[C@H](CO)CCl- InChIKey
NQULNQFAEYXUJJ-BYPYZUCNSA-N- Molecular formula
- C4H9ClO
- Average molar mass
- 108.57 g/mol
- Monoisotopic mass
- 108.0341926
Names & identifiers
- Preferred name
- (2R)-3-chloro-2-methyl-1-propanol
- IUPAC
- (2R)-3-chloro-2-methylpropan-1-ol
Names & synonyms
(2R)-3-chloro-2-methyl-1-propanol82516-66-3(2R)-3-CHLORO-2-METHYLPROPAN-1-OLSCHEMBL5662095DTXSID90435206NQULNQFAEYXUJJ-BYPYZUCNSA-N
Database identifiers
- CAS
82516-66-3- PubChem CID
- 10080353
- DTXSID
DTXSID90435206
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
2 records
Compound notes
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