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1251844-44-6 | 4-Pyridinecarboxylic acid, 2-(difluoromethyl)-, methyl ester
CAS No: 1251844-44-6 Catalog No: AG000NB2 MDL No:MFCD22690248
Product Description
Catalog Number:
AG000NB2
Chemical Name:
4-Pyridinecarboxylic acid, 2-(difluoromethyl)-, methyl ester
CAS Number:
1251844-44-6
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD22690248
IUPAC Name:
methyl 2-(difluoromethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C8H7F2NO2/c1-13-8(12)5-2-3-11-6(4-5)7(9)10/h2-4,7H,1H3
InChI Key:
FDVNQZVPNUJODO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C(F)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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