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Home > Fluorides > 1258629-02-5
1258629-02-5 | 2-(2-Trifluoromethoxyphenyl)-isonicotinic acid
CAS No: 1258629-02-5 Catalog No: AG01FA0X MDL No:
Product Description
Catalog Number:
AG01FA0X
Chemical Name:
2-(2-Trifluoromethoxyphenyl)-isonicotinic acid
CAS Number:
1258629-02-5
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)10-7-8(12(18)19)5-6-17-10/h1-7H,(H,18,19)
InChI Key:
VKQUTWDSBGIORX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1ccccc1OC(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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