3-Chloro-5-fluoro-4-formylbenzoic acid
Basic information
- CAS
1465327-37-0- Standard SMILES
O=Cc1c(F)cc(C(=O)O)cc1Cl- InChIKey
CQJYPDNDOWMOPN-UHFFFAOYSA-N- Molecular formula
- C8H4ClFO3
- Average molar mass
- 202.56 g/mol
- Monoisotopic mass
- 201.9832998
Names & identifiers
- Preferred name
- 3-Chloro-5-fluoro-4-formylbenzoic acid
- IUPAC
- 3-chloro-5-fluoro-4-formylbenzoic acid
Names & synonyms
3-chloro-5-fluoro-4-formylbenzoic acid1465327-37-0SCHEMBL15323116DTXSID601282833Benzoic acid, 3-chloro-5-fluoro-4-formyl-
Database identifiers
- CAS
1465327-37-0- PubChem CID
- 89854516
- DTXSID
DTXSID601282833
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…