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1261598-96-2 | 2-Pyridinecarboxylic acid, 6-chloro-3-[4-(trifluoromethyl)phenyl]-, methyl ester
CAS No: 1261598-96-2 Catalog No: AG000RVJ MDL No:
Product Description
Catalog Number:
AG000RVJ
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-3-[4-(trifluoromethyl)phenyl]-, methyl ester
CAS Number:
1261598-96-2
Molecular Formula:
C14H9ClF3NO2
Molecular Weight:
315.6750
IUPAC Name:
methyl 6-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
InChI:
InChI=1S/C14H9ClF3NO2/c1-21-13(20)12-10(6-7-11(15)19-12)8-2-4-9(5-3-8)14(16,17)18/h2-7H,1H3
InChI Key:
SLIFIVACMYULFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)ccc1c1ccc(cc1)C(F)(F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.676g/mol
Monoisotopic Mass:
315.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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