200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2765-15-3
2765-15-3 | Benzene, 1,1'-(1,2-ethynediyl)bis[3-nitro-
CAS No: 2765-15-3 Catalog No: AG002UC3 MDL No:
Product Description
Catalog Number:
AG002UC3
Chemical Name:
Benzene, 1,1'-(1,2-ethynediyl)bis[3-nitro-
CAS Number:
2765-15-3
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
1-nitro-3-[2-(3-nitrophenyl)ethynyl]benzene
InChI:
InChI=1S/C14H8N2O4/c17-15(18)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(19)20/h1-6,9-10H
InChI Key:
ILLZNTMRBXEUMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C#Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.