200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 880554-49-4
880554-49-4 | 1H-1,2,4-Triazole, 1,3-diphenyl-5-(trinitromethyl)-
CAS No: 880554-49-4 Catalog No: AG004IHP MDL No:
Product Description
Catalog Number:
AG004IHP
Chemical Name:
1H-1,2,4-Triazole, 1,3-diphenyl-5-(trinitromethyl)-
CAS Number:
880554-49-4
Molecular Formula:
C15H10N6O6
Molecular Weight:
370.2765
IUPAC Name:
1,3-diphenyl-5-(trinitromethyl)-1,2,4-triazole
InChI:
InChI=1S/C15H10N6O6/c22-19(23)15(20(24)25,21(26)27)14-16-13(11-7-3-1-4-8-11)17-18(14)12-9-5-2-6-10-12/h1-10H
InChI Key:
AFGAKGMLLLLLGR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(c1nc(nn1c1ccccc1)c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.066g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.281g/mol
Monoisotopic Mass:
370.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.