5-Bromo-2-chloro-4-(methoxycarbonyl)benzoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1061314-04-2- Standard SMILES
COC(=O)c1cc(Cl)c(C(=O)O)cc1Br- InChIKey
NKZUFJATZWJDBM-UHFFFAOYSA-N- Molecular formula
- C9H6BrClO4
- Average molar mass
- 293.5 g/mol
- Monoisotopic mass
- 291.9138
Names & identifiers
- Preferred name
- 5-Bromo-2-chloro-4-(methoxycarbonyl)benzoic acid
- IUPAC
- 5-bromo-2-chloro-4-methoxycarbonylbenzoic acid
- English name
- Benzoic acid, 5-broMo-2-chloro-4-(Methoxycarbonyl)-
- Molecular formula
- C9H6BrClO4
- Molecular weight
- 293.5
Names & synonyms
5-bromo-2-chloro-4-(methoxycarbonyl)benzoic acid1061314-04-25-bromo-2-chloro-4-methoxycarbonylbenzoic acidSCHEMBL3681759SCHEMBL30337032DTXSID70670416NKZUFJATZWJDBM-UHFFFAOYSA-NMFCD16556324AKOS016015451DB-3683855-bromo-2-chloro-4-methoxycarbonyl-benzoic acidBenzoic acid, 5-broMo-2-chloro-4-(Methoxycarbonyl)-
Show more names
1,4-Benzenedicarboxylic acid, 2-bromo-5-chloro-, 1-methyl ester
Database identifiers
- CAS
1061314-04-2- PubChem CID
- 45480503
- DTXSID
DTXSID70670416
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 395.6 · 395.6±42.0 °C(Predicted)
- Density
- 1.747 · 1.747±0.06 g/cm3(Predicted)
- pka
- 1.98 · 1.98±0.25(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…