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208259-76-1 | (3,5-Difluorophenyl)glyoxylic acid
CAS No: 208259-76-1 Catalog No: AG01EUI6 MDL No:
Product Description
Catalog Number:
AG01EUI6
Chemical Name:
(3,5-Difluorophenyl)glyoxylic acid
CAS Number:
208259-76-1
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
IUPAC Name:
2-(3,5-difluorophenyl)-2-oxoacetic acid
InChI:
InChI=1S/C8H4F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3H,(H,12,13)
InChI Key:
IMSPPXWJEBHAEM-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)cc(c1)F)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.114g/mol
Monoisotopic Mass:
186.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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