4-Bromo-2-fluoro-6-methylbenzoic Acid - CAS 1242157-23-8
Catalog: |
BB005834 |
Product Name: |
4-Bromo-2-fluoro-6-methylbenzoic Acid |
CAS: |
1242157-23-8 |
Synonyms: |
4-bromo-2-fluoro-6-methylbenzoic acid; 4-bromo-2-fluoro-6-methylbenzoic acid |
IUPAC Name: | 4-bromo-2-fluoro-6-methylbenzoic acid |
Description: | 4-Bromo-2-fluoro-6-methylbenzoic Acid (CAS# 1242157-23-8) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | CC1=CC(=CC(=C1C(=O)O)F)Br |
InChI: | InChI=1S/C8H6BrFO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | VFWRRIRDHDOGEE-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.59480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021091575-A1 | Bifunctional compounds for degrading btk via ubiquitin proteosome pathway | 20191108 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020126952-A1 | Imidazopyrazine derivatives as antibacterial agents | 20181217 |
WO-2020126953-A1 | Novel imidazopyrazine derivatives as antibacterials | 20181217 |
WO-2020126954-A1 | Novel imidazopyrazine derivatives | 20181217 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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