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Home > Fluorides > 1211537-27-7
1211537-27-7 | 6-Cyano-2-(trifluoromethyl)nicotinic acid
CAS No: 1211537-27-7 Catalog No: AG003861 MDL No:MFCD18256578
Product Description
Catalog Number:
AG003861
Chemical Name:
6-Cyano-2-(trifluoromethyl)nicotinic acid
CAS Number:
1211537-27-7
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD18256578
IUPAC Name:
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-5(7(14)15)2-1-4(3-12)13-6/h1-2H,(H,14,15)
InChI Key:
MFALOKVJQIUJKP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.119g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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