2-Fluorobiphenyl-4-carboxaldehyde - CAS 57592-43-5
Catalog: |
BB029754 |
Product Name: |
2-Fluorobiphenyl-4-carboxaldehyde |
CAS: |
57592-43-5 |
Synonyms: |
3-fluoro-4-phenylbenzaldehyde |
IUPAC Name: | 3-fluoro-4-phenylbenzaldehyde |
Description: | 2-Fluorobiphenyl-4-carboxaldehyde (CAS# 57592-43-5 ) is a useful research chemical. |
Molecular Weight: | 200.21 |
Molecular Formula: | C13H9FO |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=C(C=C2)C=O)F |
InChI: | InChI=1S/C13H9FO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H |
InChI Key: | BBFKVFLWRKZSPM-UHFFFAOYSA-N |
Boiling Point: | 315.8 °C at 760 mmHg |
Density: | 1.173 g/cm3 |
Appearance: | White to tan crystal or powder |
MDL: | MFCD05664220 |
LogP: | 3.30520 |
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 |
US-2017360801-A1 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
US-10813939-B2 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
US-2015291521-A1 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | 20121102 |
US-9567301-B2 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | 20121102 |
WO-2014071247-A1 | Pyrrol-1 -yl benzoic acid derivates useful as myc inhibitors | 20121102 |
PMID | Publication Date | Title | Journal |
22263894 | 20120308 | Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold | Journal of medicinal chemistry |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.063743068 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.063743068 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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