Basic information
- CAS
943750-52-5- Standard SMILES
NC(=O)c1ccc(Cl)c(O)c1- InChIKey
ZXJXEOBFNLJYSC-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.00870611
Names & identifiers
- Preferred name
- 4-Chloro-3-hydroxybenzamide
- IUPAC
- 4-chloro-3-hydroxybenzamide
- English name
- Benzamide, 4-chloro-3-hydroxy-
- Molecular formula
- C7H6ClNO2
- Molecular weight
- 171.58
Names & synonyms
4-CHLORO-3-HYDROXYBENZAMIDE943750-52-54-chloro-3-hydroxy-benzamideSCHEMBL1936725DTXSID30668955ZXJXEOBFNLJYSC-UHFFFAOYSA-NMFCD16999310MB27786DB-153823EN300-1178561Benzamide, 4-chloro-3-hydroxy-
Database identifiers
- CAS
943750-52-5- PubChem CID
- 45120137
- DTXSID
DTXSID30668955
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 290.6 · 290.6±30.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
2 records
Compound notes
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