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Home > Fluorides > 1152830-63-1
1152830-63-1 | 2-[(2,3-Difluorobenzyl)thio]nicotinic Acid
CAS No: 1152830-63-1 Catalog No: AG01FLKV MDL No:
Product Description
Catalog Number:
AG01FLKV
Chemical Name:
2-[(2,3-Difluorobenzyl)thio]nicotinic Acid
CAS Number:
1152830-63-1
IUPAC Name:
2-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9F2NO2S/c14-10-5-1-3-8(11(10)15)7-19-12-9(13(17)18)4-2-6-16-12/h1-6H,7H2,(H,17,18)
InChI Key:
PYWQNVILCWKUBG-UHFFFAOYSA-N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.277g/mol
Monoisotopic Mass:
281.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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