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Home > Nitro Compounds > 76869-83-5
76869-83-5 | ETHOXYCARBONYLIMINO-(3-NITROPHENYL)-OXIDO-AZANIUM
CAS No: 76869-83-5 Catalog No: AG005HJ4 MDL No:
Product Description
Catalog Number:
AG005HJ4
Chemical Name:
ETHOXYCARBONYLIMINO-(3-NITROPHENYL)-OXIDO-AZANIUM
CAS Number:
76869-83-5
Molecular Formula:
C9H9N3O5
Molecular Weight:
239.1849
IUPAC Name:
ethoxycarbonylimino-(3-nitrophenyl)-oxidoazanium
InChI:
InChI=1S/C9H9N3O5/c1-2-17-9(13)10-11(14)7-4-3-5-8(6-7)12(15)16/h3-6H,2H2,1H3
InChI Key:
HZCBYMPPEUEMAL-UHFFFAOYSA-N
SMILES:
CCOC(=O)N=[N+](c1cccc(c1)[N+](=O)[O-])[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.187g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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