4-Cyano-3-fluorobenzoic acid - CAS 176508-81-9
Catalog: |
BB013229 |
Product Name: |
4-Cyano-3-fluorobenzoic acid |
CAS: |
176508-81-9 |
Synonyms: |
4-cyano-3-fluorobenzoic acid |
IUPAC Name: | 4-cyano-3-fluorobenzoic acid |
Description: | 4-Cyano-3-fluorobenzoic acid (CAS# 176508-81-9) is a useful research chemical. |
Molecular Weight: | 165.12 |
Molecular Formula: | C8H4FNO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)C#N |
InChI: | InChI=1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12) |
InChI Key: | ZWKNDLMYSLLMRF-UHFFFAOYSA-N |
Boiling Point: | 335.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.42 g/cm3 |
MDL: | MFCD03094324 |
LogP: | 1.39558 |
GHS Hazard Statement: | H302 (99.49%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021269413-A1 | Quinazolinone compounds and related compounds | 20200221 |
WO-2021168314-A1 | Quinazolinone compounds and related compounds | 20200221 |
KR-102301616-B1 | Light-emitting diode comprising two-dimensional metal carbide transparent electrode and preparation method thereof | 20191231 |
KR-20210086926-A | Light-emitting diode comprising two-dimensional metal carbide transparent electrode and preparation method thereof | 20191231 |
KR-20210077111-A | Defect suppressed metal halide perovskite light-emitting material and light-emitting diode comprising the same | 20191216 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02260653 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02260653 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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