3-Chloro-4-(hydroxymethyl)benzaldehyde
Basic information
- CAS
219765-14-7- Standard SMILES
O=Cc1ccc(CO)c(Cl)c1- InChIKey
QYAWRHXHSSXTHR-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-(hydroxymethyl)benzaldehyde
- IUPAC
- 3-chloro-4-(hydroxymethyl)benzaldehyde
- English name
- 3-chloro-4-(hydroxymethyl)benzaldehyde
- Molecular formula
- C8H7ClO2
- Molecular weight
- 170.59
Names & synonyms
SCHEMBL62993033-chloro-4-(hydroxymethyl)benzaldehydeDB-151633219765-14-7Benzaldehyde, 3-chloro-4-(hydroxymethyl)-
Database identifiers
- CAS
219765-14-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 317.1 · 317.1±27.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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