5-Bromo-2-fluoro-4-methylbenzoic acid - CAS 515135-65-6
Catalog: |
BB071695 |
Product Name: |
5-Bromo-2-fluoro-4-methylbenzoic acid |
CAS: |
515135-65-6 |
Synonyms: |
5-Bromo-2-fluoro-4-methylbenzoic acid; Benzoic acid, 5-bromo-2-fluoro-4-methyl-; 5-Bromo-2-fluoro-4-methyl-benzoic acid; 5-Bromo-2-fluoro-4-methylbenzoicacid |
IUPAC Name: | 5-bromo-2-fluoro-4-methylbenzoic acid |
Description: | 5-Bromo-2-fluoro-4-methylbenzoic acid |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | CC1=CC(=C(C=C1Br)C(=O)O)F |
InChI: | InChI=1S/C8H6BrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12) |
InChI Key: | BGBAXZILVNOSAT-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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