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1256807-01-8 | 4-Pyridinecarboxylic acid, 2-(difluoromethyl)-6-methoxy-, methyl ester
CAS No: 1256807-01-8 Catalog No: AG000ODR MDL No:MFCD18258498
Product Description
Catalog Number:
AG000ODR
Chemical Name:
4-Pyridinecarboxylic acid, 2-(difluoromethyl)-6-methoxy-, methyl ester
CAS Number:
1256807-01-8
Molecular Formula:
C9H9F2NO3
Molecular Weight:
217.1695
MDL Number:
MFCD18258498
IUPAC Name:
methyl 2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
InChI:
InChI=1S/C9H9F2NO3/c1-14-7-4-5(9(13)15-2)3-6(12-7)8(10)11/h3-4,8H,1-2H3
InChI Key:
SJUYVQQAOLNRBF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(n1)C(F)F)C(=O)OC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.172g/mol
Monoisotopic Mass:
217.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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