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435311-15-2

435311-15-2 | Imidazo[4,5,1-jk][1,3,4]benzotriazepine (9CI)

CAS No: 435311-15-2 Catalog No: AG00DYV5 MDL No:

Product Description

Catalog Number:
AG00DYV5
Chemical Name:
Imidazo[4,5,1-jk][1,3,4]benzotriazepine (9CI)
CAS Number:
435311-15-2
IUPAC Name:
1,3,10,11-tetrazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13),9,11-hexaene
InChI:
InChI=1S/C9H6N4/c1-2-7-4-11-12-6-13-5-10-8(3-1)9(7)13/h1-6H
InChI Key:
KIGATMFIFBWPJI-UHFFFAOYSA-N

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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