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1255311-45-5 | 1,2,4-Triazolo[4,3-a]pyridine, 8-chloro-7-phenyl-
CAS No: 1255311-45-5 Catalog No: AG000NSU MDL No:
Product Description
Catalog Number:
AG000NSU
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 8-chloro-7-phenyl-
CAS Number:
1255311-45-5
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
IUPAC Name:
8-chloro-7-phenyl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H8ClN3/c13-11-10(9-4-2-1-3-5-9)6-7-16-8-14-15-12(11)16/h1-8H
InChI Key:
XBHVGPLEVZECEP-UHFFFAOYSA-N
SMILES:
Clc1c(ccn2c1nnc2)c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.667g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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