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247200-00-6 | 2-Pyridineacetic acid, 5-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 247200-00-6 Catalog No: AG002P77 MDL No:
Product Description
Catalog Number:
AG002P77
Chemical Name:
2-Pyridineacetic acid, 5-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
247200-00-6
Molecular Formula:
C8H7ClF3NO2
Molecular Weight:
241.5949
IUPAC Name:
2-[5-(trifluoromethyl)pyridin-2-yl]acetic acid;hydrochloride
InChI:
InChI=1S/C8H6F3NO2.ClH/c9-8(10,11)5-1-2-6(12-4-5)3-7(13)14;/h1-2,4H,3H2,(H,13,14);1H
InChI Key:
KUEBVQBGULZMMZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cn1)C(F)(F)F.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.594g/mol
Monoisotopic Mass:
241.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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