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Home > Fluorides > 849937-91-3
849937-91-3 | 4,6-Difluoronicotinic Acid
CAS No: 849937-91-3 Catalog No: AG0038EH MDL No:MFCD09031031
Product Description
Catalog Number:
AG0038EH
Chemical Name:
4,6-Difluoronicotinic Acid
CAS Number:
849937-91-3
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
MDL Number:
MFCD09031031
IUPAC Name:
4,6-difluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3F2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
InChI Key:
CWAIXXHIRUVOMA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(cc1F)F
Properties
Complexity:
165
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:
0.9
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