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1215421-88-7 | Difluoro(5-methylpyridin-2-yl)acetic acid
CAS No: 1215421-88-7 Catalog No: AG01FBJ0 MDL No:
Product Description
Catalog Number:
AG01FBJ0
Chemical Name:
Difluoro(5-methylpyridin-2-yl)acetic acid
CAS Number:
1215421-88-7
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
IUPAC Name:
2,2-difluoro-2-(5-methylpyridin-2-yl)acetic acid
InChI:
InChI=1S/C8H7F2NO2/c1-5-2-3-6(11-4-5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
UZLDROJWPGDBDP-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C(C(=O)O)(F)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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