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1214336-10-3 | 2-Pyridinecarboxylic acid, 3,6-difluoro-, methyl ester
CAS No: 1214336-10-3 Catalog No: AG0014TZ MDL No:MFCD14698041
Product Description
Catalog Number:
AG0014TZ
Chemical Name:
2-Pyridinecarboxylic acid, 3,6-difluoro-, methyl ester
CAS Number:
1214336-10-3
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD14698041
IUPAC Name:
methyl 3,6-difluoropyridine-2-carboxylate
InChI:
InChI=1S/C7H5F2NO2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3
InChI Key:
ZFVANDMZFUYMKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(F)ccc1F
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:
1.6
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