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1198475-50-1 | 2-Pyridinecarboxylic acid, 5-chloro-3-(trifluoromethyl)-, ethyl ester
CAS No: 1198475-50-1 Catalog No: AG000PRN MDL No:MFCD14581656
Product Description
Catalog Number:
AG000PRN
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-3-(trifluoromethyl)-, ethyl ester
CAS Number:
1198475-50-1
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
MDL Number:
MFCD14581656
IUPAC Name:
ethyl 5-chloro-3-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(9(11,12)13)3-5(10)4-14-7/h3-4H,2H2,1H3
InChI Key:
VHCJANFQIOZHJD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(cc1C(F)(F)F)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.605g/mol
Monoisotopic Mass:
253.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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