200,000+ products from a single source!
sales@angenechem.com
20460-75-7 | 2,4,6-Pyrimidinetriamine, 5-nitro-, 1-oxide
CAS No: 20460-75-7 Catalog No: AG0029M8 MDL No:
Product Description
Catalog Number:
AG0029M8
Chemical Name:
2,4,6-Pyrimidinetriamine, 5-nitro-, 1-oxide
CAS Number:
20460-75-7
Molecular Formula:
C4H6N6O3
Molecular Weight:
186.1288
IUPAC Name:
1-hydroxy-2-imino-5-nitropyrimidine-4,6-diamine
InChI:
InChI=1S/C4H6N6O3/c5-2-1(10(12)13)3(6)9(11)4(7)8-2/h11H,6H2,(H3,5,7,8)
InChI Key:
LRZFKXPHEPQNIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)nc([n+](c1N)[O-])N
NSC Number:
116198
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
186.131g/mol
Monoisotopic Mass:
186.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
158A^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.