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1374667-55-6 | 1,2,4-Triazolo[4,3-a]pyridine, 7-chloro-3-methyl-8-(trifluoromethyl)-
CAS No: 1374667-55-6 Catalog No: AG0013BC MDL No:
Product Description
Catalog Number:
AG0013BC
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 7-chloro-3-methyl-8-(trifluoromethyl)-
CAS Number:
1374667-55-6
Molecular Formula:
C8H5ClF3N3
Molecular Weight:
235.5936
IUPAC Name:
7-chloro-3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C8H5ClF3N3/c1-4-13-14-7-6(8(10,11)12)5(9)2-3-15(4)7/h2-3H,1H3
InChI Key:
XDFJWTKZGSQHCZ-UHFFFAOYSA-N
SMILES:
Clc1ccn2c(c1C(F)(F)F)nnc2C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.594g/mol
Monoisotopic Mass:
235.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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