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Home > Fluorides > 1263376-50-6
1263376-50-6 | 2-(3,5-Bistrifluoromethylphenyl)-isonicotinic acid
CAS No: 1263376-50-6 Catalog No: AG01F8Z5 MDL No:
Product Description
Catalog Number:
AG01F8Z5
Chemical Name:
2-(3,5-Bistrifluoromethylphenyl)-isonicotinic acid
CAS Number:
1263376-50-6
Molecular Formula:
C14H7F6NO2
Molecular Weight:
335.2013
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
InChI:
InChI=1S/C14H7F6NO2/c15-13(16,17)9-3-8(4-10(6-9)14(18,19)20)11-5-7(12(22)23)1-2-21-11/h1-6H,(H,22,23)
InChI Key:
JYMHZOFKMRJXDC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.205g/mol
Monoisotopic Mass:
335.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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