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Home > Nitro Compounds > 133070-80-1
133070-80-1 | BENZENE, 2-ETHOXY-1,4-DINITRO-
CAS No: 133070-80-1 Catalog No: AG00145R MDL No:
Product Description
Catalog Number:
AG00145R
Chemical Name:
BENZENE, 2-ETHOXY-1,4-DINITRO-
CAS Number:
133070-80-1
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
IUPAC Name:
2-ethoxy-1,4-dinitrobenzene
InChI:
InChI=1S/C8H8N2O5/c1-2-15-8-5-6(9(11)12)3-4-7(8)10(13)14/h3-5H,2H2,1H3
InChI Key:
HYQXQXJWUMOPKU-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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