4-Methoxy-2-(trifluoromethyl)benzoic acid - CAS 127817-85-0
Catalog: |
BB006827 |
Product Name: |
4-Methoxy-2-(trifluoromethyl)benzoic acid |
CAS: |
127817-85-0 |
Synonyms: |
4-methoxy-2-(trifluoromethyl)benzoic acid; 4-methoxy-2-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-methoxy-2-(trifluoromethyl)benzoic acid |
Description: | 4-Methoxy-2-(trifluoromethyl)benzoic acid (CAS# 127817-85-0) is useful as a reactant for the synthesis of phenothiazines. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14) |
InChI Key: | MLCRFQSWSHKLDP-UHFFFAOYSA-N |
Boiling Point: | 274.8 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01091013 |
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 |
EP-3551633-B1 | Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors | 20161212 |
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WO-2017006296-A1 | N-hydroxyformamide compounds and compositions comprising them for use as bmp1, tll1 and/or tll2 inhibitors | 20150709 |
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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