6-[4-(Trifluoromethoxy)phenyl]nicotinic Acid - CAS 851266-74-5
Catalog: |
BB037498 |
Product Name: |
6-[4-(Trifluoromethoxy)phenyl]nicotinic Acid |
CAS: |
851266-74-5 |
Synonyms: |
6-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxylic acid; 6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid |
IUPAC Name: | 6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid |
Description: | 6-[4-(Trifluoromethoxy)phenyl]nicotinic Acid (CAS# 851266-74-5 ) is a useful research chemical. |
Molecular Weight: | 283.20 |
Molecular Formula: | C13H8F3NO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=NC=C(C=C2)C(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(18)19/h1-7H,(H,18,19) |
InChI Key: | CMFMUUMHVQNJOH-UHFFFAOYSA-N |
LogP: | 3.34540 |
Publication Number | Title | Priority Date |
CA-2542494-A1 | Tetrahydro-naphthalene and urea derivatives | 20031015 |
EP-1678123-A1 | Tetrahydro-naphthalene and urea derivatives | 20031015 |
JP-2007509846-A | Tetrahydro-naphthalene and urea derivatives | 20031015 |
US-2008045546-A1 | Tetradydro-Naphthalene And Urea Derivatives | 20031015 |
WO-2005040100-A1 | Tetrahydro-naphthalene and urea derivatives | 20031015 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.0456276 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.0456276 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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