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28925-38-4 | Benzene, 1,1'-(1,2-dinitro-1,2-ethenediyl)bis- (9CI)
CAS No: 28925-38-4 Catalog No: AG002X3O MDL No:
Product Description
Catalog Number:
AG002X3O
Chemical Name:
Benzene, 1,1'-(1,2-dinitro-1,2-ethenediyl)bis- (9CI)
CAS Number:
28925-38-4
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
(1,2-dinitro-2-phenylethenyl)benzene
InChI:
InChI=1S/C14H10N2O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10H
InChI Key:
NQAQCAROZAAHGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=C(c1ccccc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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