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1806304-70-0 | 3-Pyridinecarboxylic acid, 2,4-difluoro-, methyl ester
CAS No: 1806304-70-0 Catalog No: AG002264 MDL No:
Product Description
Catalog Number:
AG002264
Chemical Name:
3-Pyridinecarboxylic acid, 2,4-difluoro-, methyl ester
CAS Number:
1806304-70-0
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
IUPAC Name:
methyl 2,4-difluoropyridine-3-carboxylate
InChI:
InChI=1S/C7H5F2NO2/c1-12-7(11)5-4(8)2-3-10-6(5)9/h2-3H,1H3
InChI Key:
HMHCQKZHJYHEDR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccnc1F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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