200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 13976-29-9
13976-29-9 | 7H-Imidazo[4,5-e]tetrazolo[1,5-c][1,2,3]triazine, 7-(phenylmethyl)-
CAS No: 13976-29-9 Catalog No: AG001BOT MDL No:
Product Description
Catalog Number:
AG001BOT
Chemical Name:
7H-Imidazo[4,5-e]tetrazolo[1,5-c][1,2,3]triazine, 7-(phenylmethyl)-
CAS Number:
13976-29-9
Molecular Formula:
C11H8N8
Molecular Weight:
252.2348
IUPAC Name:
10-benzyl-3,4,5,6,7,8,10,12-octazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
InChI:
InChI=1S/C11H8N8/c1-2-4-8(5-3-1)6-18-7-12-9-10(18)14-16-19-11(9)13-15-17-19/h1-5,7H,6H2
InChI Key:
SXFCHMKSQULRSE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cnc2c1nnn1c2nnn1
NSC Number:
90333
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.241g/mol
Monoisotopic Mass:
252.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.