200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 122756-97-2
122756-97-2 | Cyanamide, 1,4-butanediylbis[nitro- (9CI)
CAS No: 122756-97-2 Catalog No: AG000JAU MDL No:
Product Description
Catalog Number:
AG000JAU
Chemical Name:
Cyanamide, 1,4-butanediylbis[nitro- (9CI)
CAS Number:
122756-97-2
Molecular Formula:
C6H8N6O4
Molecular Weight:
228.1655
IUPAC Name:
4-[cyano(nitro)amino]butyl-nitrocyanamide
InChI:
InChI=1S/C6H8N6O4/c7-5-9(11(13)14)3-1-2-4-10(6-8)12(15)16/h1-4H2
InChI Key:
USOPEZBLAXXNKI-UHFFFAOYSA-N
SMILES:
N#CN([N+](=O)[O-])CCCCN([N+](=O)[O-])C#N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.168g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.