4-Fluoro-3-formylbenzoic Acid - CAS 845885-90-7
Catalog: |
BB037257 |
Product Name: |
4-Fluoro-3-formylbenzoic Acid |
CAS: |
845885-90-7 |
Synonyms: |
4-fluoro-3-formylbenzoic acid; 4-fluoro-3-formylbenzoic acid |
IUPAC Name: | 4-fluoro-3-formylbenzoic acid |
Description: | 4-Fluoro-3-formylbenzoic Acid (CAS# 845885-90-7) is a useful research chemical. |
Molecular Weight: | 168.12 |
Molecular Formula: | C8H5FO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C=O)F |
InChI: | InChI=1S/C8H5FO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-4H,(H,11,12) |
InChI Key: | SKPWEADPCJMLID-UHFFFAOYSA-N |
Boiling Point: | 332.301 °C at 760 mmHg |
Density: | 1.427 g/cm3 |
MDL: | MFCD06411555 |
LogP: | 1.33640 |
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-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02227218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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