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Home > Nitro Compounds > 13985-56-3
13985-56-3 | Benzene, 2-ethyl-1,3-dinitro-
CAS No: 13985-56-3 Catalog No: AG001BQT MDL No:
Product Description
Catalog Number:
AG001BQT
Chemical Name:
Benzene, 2-ethyl-1,3-dinitro-
CAS Number:
13985-56-3
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
2-ethyl-1,3-dinitrobenzene
InChI:
InChI=1S/C8H8N2O4/c1-2-6-7(9(11)12)4-3-5-8(6)10(13)14/h3-5H,2H2,1H3
InChI Key:
SWASTJCUMFALOW-UHFFFAOYSA-N
SMILES:
CCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
237-777-2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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