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Home > Nitro Compounds > 29293-52-5
29293-52-5 | Benzene, [(1E)-1,2-dinitroethenyl]-
CAS No: 29293-52-5 Catalog No: AG002XZG MDL No:
Product Description
Catalog Number:
AG002XZG
Chemical Name:
Benzene, [(1E)-1,2-dinitroethenyl]-
CAS Number:
29293-52-5
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
IUPAC Name:
1,2-dinitroethenylbenzene
InChI:
InChI=1S/C8H6N2O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-6H
InChI Key:
CNSBDIAQIXMWSC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C(=C/[N+](=O)[O-])/c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| The mechanisms of catalysis by metallo beta-lactamases. | Bioinorganic chemistry and applications 20080101 |
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