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1080025-88-2 | 1-(1H-Benzotriazol-1-yl)-2-(1H-indol-3-yl)ethanone
CAS No: 1080025-88-2 Catalog No: AG01DZJ7 MDL No:
Product Description
Catalog Number:
AG01DZJ7
Chemical Name:
1-(1H-Benzotriazol-1-yl)-2-(1H-indol-3-yl)ethanone
CAS Number:
1080025-88-2
IUPAC Name:
1-(benzotriazol-1-yl)-2-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C16H12N4O/c21-16(20-15-8-4-3-7-14(15)18-19-20)9-11-10-17-13-6-2-1-5-12(11)13/h1-8,10,17H,9H2
InChI Key:
UPLQVGQBBPIDLQ-UHFFFAOYSA-N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.299g/mol
Monoisotopic Mass:
276.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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