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Home > Indoles and Oxindole > 831218-09-8
831218-09-8 | 1H-Indole, 1-[2-(5-phenyl-1,2,4-triazin-3-yl)ethyl]-
CAS No: 831218-09-8 Catalog No: AG0051JN MDL No:
Product Description
Catalog Number:
AG0051JN
Chemical Name:
1H-Indole, 1-[2-(5-phenyl-1,2,4-triazin-3-yl)ethyl]-
CAS Number:
831218-09-8
Molecular Formula:
C19H16N4
Molecular Weight:
300.3571
IUPAC Name:
1-[2-(5-phenyl-1,2,4-triazin-3-yl)ethyl]indole
InChI:
InChI=1S/C19H16N4/c1-2-6-15(7-3-1)17-14-20-22-19(21-17)11-13-23-12-10-16-8-4-5-9-18(16)23/h1-10,12,14H,11,13H2
InChI Key:
XFWUODMDTUVGBZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnnc(n1)CCn1ccc2c1cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.365g/mol
Monoisotopic Mass:
300.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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