2-Chloro-3,4-difluorobenzoic acid - CAS 150444-93-2
Catalog: |
BB069913 |
Product Name: |
2-Chloro-3,4-difluorobenzoic acid |
CAS: |
150444-93-2 |
Synonyms: |
2-Chloro-3,4-difluorobenzoic acid; 2-Chloro-3,4-difluorobenzoicacid |
IUPAC Name: | 2-chloro-3,4-difluorobenzoic acid |
Description: | 2-Chloro-3,4-difluorobenzoic acid |
Molecular Weight: | 192.55 |
Molecular Formula: | C7H3ClF2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)Cl)F)F |
InChI: | InChI=1S/C7H3ClF2O2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H,11,12) |
InChI Key: | OXEOUORGNJUNFN-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9789634 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9789634 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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