4-Chloro-3,5-difluorobenzoic Acid - CAS 1160573-19-2
Catalog: |
BB070128 |
Product Name: |
4-Chloro-3,5-difluorobenzoic Acid |
CAS: |
1160573-19-2 |
Synonyms: |
4-Chloro-3,5-difluorobenzoic acid; 4-Chloro-3,5-difluorobenzoicacid; Benzoic acid, 4-chloro-3,5-difluoro- |
IUPAC Name: | 4-chloro-3,5-difluorobenzoic acid |
Description: | 4-Chloro-3,5-difluorobenzoic Acid, can be used for the preparation of diflourobenzene-containing compounds which are very useful in materials science and agricultural chemistry, such as pesticides preparation. |
Molecular Weight: | 192.55 |
Molecular Formula: | C7H3ClF2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)Cl)F)C(=O)O |
InChI: | InChI=1S/C7H3ClF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12) |
InChI Key: | PVIHLHXXVCVGTP-UHFFFAOYSA-N |
References: | Prakash, G. K., et al. J. Org. Chem., 68, 4457 (2003). |
Complexity: | 176 |
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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