2,5-Difluoro-4-methoxybenzoic acid - CAS 1060739-01-6
Catalog: |
BB067699 |
Product Name: |
2,5-Difluoro-4-methoxybenzoic acid |
CAS: |
1060739-01-6 |
Synonyms: |
2,5-DIFLUORO-4-METHOXYBENZOIC ACID; 2,5-Difluoro-4-methoxybenzoicacid |
IUPAC Name: | 2,5-difluoro-4-methoxybenzoic acid |
Description: | 2,5-Difluoro-4-methoxybenzoic acid |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)F)C(=O)O)F |
InChI: | InChI=1S/C8H6F2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12) |
InChI Key: | RQVYGORJRNFUOO-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02850037 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02850037 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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