3-Methoxy-5-(trifluoromethyl)benzoic Acid - CAS 53985-48-1
Catalog: |
BB028435 |
Product Name: |
3-Methoxy-5-(trifluoromethyl)benzoic Acid |
CAS: |
53985-48-1 |
Synonyms: |
3-methoxy-5-(trifluoromethyl)benzoic acid; 3-methoxy-5-(trifluoromethyl)benzoic acid |
IUPAC Name: | 3-methoxy-5-(trifluoromethyl)benzoic acid |
Description: | 3-Methoxy-5-(trifluoromethyl)benzoic Acid (CAS# 53985-48-1) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H7F3O3/c1-15-7-3-5(8(13)14)2-6(4-7)9(10,11)12/h2-4H,1H3,(H,13,14) |
InChI Key: | VAQSHRZOMRFBCX-UHFFFAOYSA-N |
Boiling Point: | 290.7 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 2.41220 |
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-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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