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851386-32-8 | 4-Chloro-5,6-difluoronicotinic acid
CAS No: 851386-32-8 Catalog No: AG004QSG MDL No:MFCD09031172
Product Description
Catalog Number:
AG004QSG
Chemical Name:
4-Chloro-5,6-difluoronicotinic acid
CAS Number:
851386-32-8
Molecular Formula:
C6H2ClF2NO2
Molecular Weight:
193.5354
MDL Number:
MFCD09031172
IUPAC Name:
4-chloro-5,6-difluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H2ClF2NO2/c7-3-2(6(11)12)1-10-5(9)4(3)8/h1H,(H,11,12)
InChI Key:
SQMYITSFQKNMHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1Cl)F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.534g/mol
Monoisotopic Mass:
192.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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