3-Fluoro-4-morpholinobenzoic acid - CAS 588708-72-9
Catalog: |
BB030187 |
Product Name: |
3-Fluoro-4-morpholinobenzoic acid |
CAS: |
588708-72-9 |
Synonyms: |
3-fluoro-4-(4-morpholinyl)benzoic acid; 3-fluoro-4-morpholin-4-ylbenzoic acid |
IUPAC Name: | 3-fluoro-4-morpholin-4-ylbenzoic acid |
Description: | 3-Fluoro-4-morpholinobenzoic acid (CAS# 588708-72-9) is a useful research chemical. |
Molecular Weight: | 225.22 |
Molecular Formula: | C11H12FNO3 |
Canonical SMILES: | C1COCCN1C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C11H12FNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15) |
InChI Key: | WDOYQIXUKGKGHT-UHFFFAOYSA-N |
LogP: | 1.42550 |
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-112159368-A | Synthesis method of linezolid intermediate | 20200707 |
WO-2020157201-A1 | Oxadiazinone compounds for the treatment of hyperproliferative diseases | 20190201 |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
CA-3077309-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
US-2019192535-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.08012141 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.08012141 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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