200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 26621-45-4
26621-45-4 | 1H-1,2,4-Triazole, 1-methyl-3-nitro-
CAS No: 26621-45-4 Catalog No: AG002TUP MDL No:MFCD02853217
Product Description
Catalog Number:
AG002TUP
Chemical Name:
1H-1,2,4-Triazole, 1-methyl-3-nitro-
CAS Number:
26621-45-4
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
MDL Number:
MFCD02853217
IUPAC Name:
1-methyl-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C3H4N4O2/c1-6-2-4-3(5-6)7(8)9/h2H,1H3
InChI Key:
DOEWLMFVRWMCGM-UHFFFAOYSA-N
SMILES:
Cn1cnc(n1)[N+](=O)[O-]
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.