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Home > Nitro Compounds > 72918-18-4
72918-18-4 | Benzene,1-ethenyl-3,5-dinitro-
CAS No: 72918-18-4 Catalog No: AG005NVP MDL No:
Product Description
Catalog Number:
AG005NVP
Chemical Name:
Benzene,1-ethenyl-3,5-dinitro-
CAS Number:
72918-18-4
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
IUPAC Name:
1-ethenyl-3,5-dinitrobenzene
InChI:
InChI=1S/C8H6N2O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h2-5H,1H2
InChI Key:
CRKUWNMRJQROHR-UHFFFAOYSA-N
SMILES:
C=Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
233
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:
0
XLogP3:
2.4
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