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2883-63-8 | 3H-1,2,3-Triazolo[4,5-c]pyridine, 3-(2-phenylethyl)-
CAS No: 2883-63-8 Catalog No: AG002WOV MDL No:
Product Description
Catalog Number:
AG002WOV
Chemical Name:
3H-1,2,3-Triazolo[4,5-c]pyridine, 3-(2-phenylethyl)-
CAS Number:
2883-63-8
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
3-(2-phenylethyl)triazolo[4,5-c]pyridine
InChI:
InChI=1S/C13H12N4/c1-2-4-11(5-3-1)7-9-17-13-10-14-8-6-12(13)15-16-17/h1-6,8,10H,7,9H2
InChI Key:
MYTVEHLCMXQWGM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCn1nnc2c1cncc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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