Basic information
- CAS
16071-26-4- Standard SMILES
O[C@H](c1ccccc1)c1ccccc1Cl- InChIKey
JGDRELLAZGINQM-CYBMUJFWSA-N- Molecular formula
- C13H11ClO
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0498427
Names & identifiers
- Preferred name
- 2-Chlorobenzhydrol, (2R)-
- IUPAC
- (R)-(2-chlorophenyl)-phenylmethanol
- English name
- (R)-2-chloro-diphenylmethanol
- Molecular formula
- C13H11ClO
- Molecular weight
- 218.68
Names & synonyms
(+)-2-Chlorobenzhydrol16071-26-42-Chlorobenzhydrol, (2R)-2-Chlorobenzhydrol, (+)-7K971JR66U(+)-(2-Chlorophenyl)phenylmethanolUNII-7K971JR66U(alphaR)-2-Chloro-alpha-phenylbenzenemethanolBenzenemethanol, 2-chloro-alpha-phenyl-, (alphaR)-(.ALPHA.R)-2-CHLORO-.ALPHA.-PHENYLBENZENEMETHANOLBENZENEMETHANOL, 2-CHLORO-.ALPHA.-PHENYL-, (.ALPHA.R)-RefChem:197728
Show more names
TB-2006Benzenemethanol, 2-chloro-α-phenyl-, (αR)-
(R)-2-chloro-diphenylmethanol(R)-(2-chlorophenyl)-phenylmethanol(R)-(2-CHLOROPHENYL)(PHENYL)METHANOL(2R)-2-chlorobenzhydrolSCHEMBL477602JGDRELLAZGINQM-CYBMUJFWSA-N(R)-(2-chlorophenyl)phenylmethanolAKOS015918288
Database identifiers
- CAS
16071-26-4- PubChem CID
- 11345008
- UNII
- 7K971JR66U
- Nikkaji
- J62.102A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 344.1 · 344.1±27.0 °C(Predicted)
- Density
- 1.221 · 1.221
- pka
- 13.17 · 13.17±0.20(Predicted)
- FDA UNII
- 7 K971JR66U · 7K971JR66U
Chemistry & industry
Suppliers4 total
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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