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88912-23-6 | 2,6-Difluoroisonicotinic acid
CAS No: 88912-23-6 Catalog No: AG00490Q MDL No:MFCD09864665
Product Description
Catalog Number:
AG00490Q
Chemical Name:
2,6-Difluoroisonicotinic acid
CAS Number:
88912-23-6
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
MDL Number:
MFCD09864665
IUPAC Name:
2,6-difluoropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H3F2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChI Key:
UDPPKJDEENEJQG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)nc(c1)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.092g/mol
Monoisotopic Mass:
159.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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