Basic information
- CAS
1804896-51-2- Standard SMILES
Cc1c(Cl)cc(Cl)cc1CO- InChIKey
ONCBVSNKMFOKMY-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 189.9952203
Names & identifiers
- Preferred name
- 3,5-Dichloro-2-methylbenzyl alcohol
- IUPAC
- (3,5-dichloro-2-methylphenyl)methanol
- English name
- 3,5-Dichloro-2-methylbenzyl alcohol
- Molecular formula
- C8H8Cl2O
- Molecular weight
- 191.05
Names & synonyms
3,5-Dichloro-2-methylbenzyl alcohol1804896-51-23,5-Dichloro-2-methylbenzylalcohol(3,5-Dichloro-2-methylphenyl)methanolMFCD28786865SCHEMBL5307444(3,5-dichloro-2-methyl-phenyl)methanolCS-0193492E93838Benzenemethanol, 3,5-dichloro-2-methyl-
Database identifiers
- CAS
1804896-51-2- PubChem CID
- 23168789
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 289.7 · 289.7±35.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.10(Predicted)
Chemistry & industry
Suppliers3 total
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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