200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 28925-40-8
28925-40-8 | Benzene, 1,1'-[1,2-bis(nitromethylene)-1,2-ethanediyl]bis- (9CI)
CAS No: 28925-40-8 Catalog No: AG002X3N MDL No:
Product Description
Catalog Number:
AG002X3N
Chemical Name:
Benzene, 1,1'-[1,2-bis(nitromethylene)-1,2-ethanediyl]bis- (9CI)
CAS Number:
28925-40-8
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
(1,4-dinitro-3-phenylbuta-1,3-dien-2-yl)benzene
InChI:
InChI=1S/C16H12N2O4/c19-17(20)11-15(13-7-3-1-4-8-13)16(12-18(21)22)14-9-5-2-6-10-14/h1-12H
InChI Key:
YLHIWPSBXRZCNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C(C(=C[N+](=O)[O-])c1ccccc1)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.