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1215579-44-4 | Difluoro[3-(trifluoromethyl)pyridin-2-yl]acetic acid
CAS No: 1215579-44-4 Catalog No: AG01F8F2 MDL No:
Product Description
Catalog Number:
AG01F8F2
Chemical Name:
Difluoro[3-(trifluoromethyl)pyridin-2-yl]acetic acid
CAS Number:
1215579-44-4
Molecular Formula:
C8H4F5NO2
Molecular Weight:
241.1149
IUPAC Name:
2,2-difluoro-2-[3-(trifluoromethyl)pyridin-2-yl]acetic acid
InChI:
InChI=1S/C8H4F5NO2/c9-7(10,6(15)16)5-4(8(11,12)13)2-1-3-14-5/h1-3H,(H,15,16)
InChI Key:
OSXHWSBTALEFQU-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ncccc1C(F)(F)F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.117g/mol
Monoisotopic Mass:
241.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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