200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 828294-91-3
828294-91-3 | 1H-1,3,5-Triazepine-6,7-dicarbonitrile, 2,3,4,5-tetrahydro-2,4-dioxo-
CAS No: 828294-91-3 Catalog No: AG004WXU MDL No:
Product Description
Catalog Number:
AG004WXU
Chemical Name:
1H-1,3,5-Triazepine-6,7-dicarbonitrile, 2,3,4,5-tetrahydro-2,4-dioxo-
CAS Number:
828294-91-3
Molecular Formula:
C6H3N5O2
Molecular Weight:
177.1203
IUPAC Name:
2,4-dioxo-1,5-dihydro-1,3,5-triazepine-6,7-dicarbonitrile
InChI:
InChI=1S/C6H3N5O2/c7-1-3-4(2-8)10-6(13)11-5(12)9-3/h(H3,9,10,11,12,13)
InChI Key:
IAPIKVMSMWSWEE-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(=O)[nH]c(=O)[nH]c1C#N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.123g/mol
Monoisotopic Mass:
177.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.