200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1936213-78-3
1936213-78-3 | 2-nitro-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CAS No: 1936213-78-3 Catalog No: AG01C134 MDL No:
Product Description
Catalog Number:
AG01C134
Chemical Name:
2-nitro-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CAS Number:
1936213-78-3
Molecular Formula:
C6H6N4O3
Molecular Weight:
182.1368
IUPAC Name:
2-nitro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
InChI:
InChI=1S/C6H6N4O3/c11-6-4-3-5(10(12)13)8-9(4)2-1-7-6/h3H,1-2H2,(H,7,11)
InChI Key:
NEJZJOKZLKDUAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn2c(c1)C(=O)NCC2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.139g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.