2-Bromo-5-fluorophenylacetic Acid - CAS 739336-26-6
Catalog: |
BB034953 |
Product Name: |
2-Bromo-5-fluorophenylacetic Acid |
CAS: |
739336-26-6 |
Synonyms: |
2-(2-bromo-5-fluorophenyl)acetic acid; 2-(2-bromo-5-fluorophenyl)acetic acid |
IUPAC Name: | 2-(2-bromo-5-fluorophenyl)acetic acid |
Description: | 2-Bromo-5-fluorophenylacetic Acid (CAS# 739336-26-6) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)CC(=O)O)Br |
InChI: | InChI=1S/C8H6BrFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | BPNWLZNAKZSBHH-UHFFFAOYSA-N |
MDL: | MFCD03094440 |
LogP: | 2.21530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112624972-A | Acridone compound and medical application thereof | 20190924 |
EP-3617206-A1 | Integrin inhibitors | 20180829 |
US-2020071322-A1 | Inhibiting (alpha-v)(beta-6) integrin | 20180829 |
WO-2020047239-A1 | INHIBITING αV β6 INTEGRIN | 20180829 |
US-2020354359-A1 | Inhibiting (alpha-v)(beta-6) integrin | 20180829 |
Complexity: | 174 |
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: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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