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Home > Nitro Compounds > 1230-85-9
1230-85-9 | Diazene, 1,2-bis(3-nitrophenyl)-, 1-oxide
CAS No: 1230-85-9 Catalog No: AG000JYN MDL No:
Product Description
Catalog Number:
AG000JYN
Chemical Name:
Diazene, 1,2-bis(3-nitrophenyl)-, 1-oxide
CAS Number:
1230-85-9
Molecular Formula:
C12H8N4O5
Molecular Weight:
288.2157
IUPAC Name:
(3-nitrophenyl)-(3-nitrophenyl)imino-oxidoazanium
InChI:
InChI=1S/C12H8N4O5/c17-14(10-4-2-6-12(8-10)16(20)21)13-9-3-1-5-11(7-9)15(18)19/h1-8H
InChI Key:
XTUPRRZRWPZCTF-UHFFFAOYSA-N
SMILES:
[O-][N+](=Nc1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.219g/mol
Monoisotopic Mass:
288.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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