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Home > Fluorides > 887973-38-8
887973-38-8 | 5-(3,5-Bis(trifluoromethyl)phenyl)-nicotinic acid
CAS No: 887973-38-8 Catalog No: AG01EYIE MDL No:
Product Description
Catalog Number:
AG01EYIE
Chemical Name:
5-(3,5-Bis(trifluoromethyl)phenyl)-nicotinic acid
CAS Number:
887973-38-8
Molecular Formula:
C14H7F6NO2
Molecular Weight:
335.2013
IUPAC Name:
5-[3,5-bis(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H7F6NO2/c15-13(16,17)10-2-7(3-11(4-10)14(18,19)20)8-1-9(12(22)23)6-21-5-8/h1-6H,(H,22,23)
InChI Key:
HHJDYJOZLDPADH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(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:
3.8
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