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Home > Fluorides > 1214346-70-9
1214346-70-9 | Pyridine, 4-methoxy-3-(trifluoromethyl)-
CAS No: 1214346-70-9 Catalog No: AG0014VC MDL No:
Product Description
Catalog Number:
AG0014VC
Chemical Name:
Pyridine, 4-methoxy-3-(trifluoromethyl)-
CAS Number:
1214346-70-9
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
IUPAC Name:
4-methoxy-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H6F3NO/c1-12-6-2-3-11-4-5(6)7(8,9)10/h2-4H,1H3
InChI Key:
SMORMIUMBXJQPE-UHFFFAOYSA-N
SMILES:
COc1ccncc1C(F)(F)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.126g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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