6-Bromo-2-fluoro-3-methylbenzoic Acid - CAS 743466-98-0
Catalog: |
BB035072 |
Product Name: |
6-Bromo-2-fluoro-3-methylbenzoic Acid |
CAS: |
743466-98-0 |
Synonyms: |
6-bromo-2-fluoro-3-methylbenzoic acid; 6-bromo-2-fluoro-3-methylbenzoic acid |
IUPAC Name: | 6-bromo-2-fluoro-3-methylbenzoic acid |
Description: | 6-Bromo-2-fluoro-3-methylbenzoic Acid (CAS# 743466-98-0) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)Br)C(=O)O)F |
InChI: | InChI=1S/C8H6BrFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | QNGVPYFPKLUQDX-UHFFFAOYSA-N |
LogP: | 2.59480 |
Publication Number | Title | Priority Date |
AU-2012327230-A1 | Boron-containing small molecules | 20111121 |
EP-2782448-A1 | Boron-containing small molecules | 20111121 |
EP-2782448-B1 | Boron-containing small molecules | 20111121 |
JP-2014534259-A | Boron-containing small molecule | 20111121 |
JP-6117815-B2 | Boron-containing small molecule | 20111121 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95352 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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