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1227607-85-3 | 3-Pyridineacetic acid, 5,6-difluoro-
CAS No: 1227607-85-3 Catalog No: AG000JEH MDL No:
Product Description
Catalog Number:
AG000JEH
Chemical Name:
3-Pyridineacetic acid, 5,6-difluoro-
CAS Number:
1227607-85-3
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
IUPAC Name:
2-(5,6-difluoropyridin-3-yl)acetic acid
InChI:
InChI=1S/C7H5F2NO2/c8-5-1-4(2-6(11)12)3-10-7(5)9/h1,3H,2H2,(H,11,12)
InChI Key:
KNBDNCUKHMNFIN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnc(c(c1)F)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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