3-Carboxy-5-fluorophenylboronic Acid - CAS 871329-84-9
Catalog: |
BB038293 |
Product Name: |
3-Carboxy-5-fluorophenylboronic Acid |
CAS: |
871329-84-9 |
Synonyms: |
3-borono-5-fluorobenzoic acid; 3-borono-5-fluorobenzoic acid |
IUPAC Name: | 3-borono-5-fluorobenzoic acid |
Description: | 3-Carboxy-5-fluorophenylboronic Acid (CAS# 871329-84-9) is a useful research chemical. |
Molecular Weight: | 183.93 |
Molecular Formula: | C7H6FO4B |
Canonical SMILES: | B(C1=CC(=CC(=C1)F)C(=O)O)(O)O |
InChI: | InChI=1S/C7H6BFO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11) |
InChI Key: | APHPXZJIUTVQNC-UHFFFAOYSA-N |
Boiling Point: | 434 °C at 760 mmHg |
Melting Point: | 112-116 °C |
Purity: | ≥ 95 % |
Density: | 1.49 g/cm3 |
Appearance: | White solid |
LogP: | -0.79630 |
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-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 20210106 |
CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 20191223 |
CN-111162313-A | Polymer electrolyte and lithium ion battery | 20191223 |
CN-111146496-B | Polymer electrolyte and lithium ion battery containing same | 20191223 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0343170 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0343170 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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