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Home > Nitro Compounds > 1567-91-5
1567-91-5 | 1,2-di(3-nitrobenzylidene)hydrazine
CAS No: 1567-91-5 Catalog No: AG01CB01 MDL No:MFCD00024544
Product Description
Catalog Number:
AG01CB01
Chemical Name:
1,2-di(3-nitrobenzylidene)hydrazine
CAS Number:
1567-91-5
Molecular Formula:
C14H10N4O4
Molecular Weight:
298.2536
MDL Number:
MFCD00024544
IUPAC Name:
(E)-1-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]methanimine
InChI:
InChI=1S/C14H10N4O4/c19-17(20)13-5-1-3-11(7-13)9-15-16-10-12-4-2-6-14(8-12)18(21)22/h1-10H/b15-9-,16-10+
InChI Key:
OFKOPKJTGHUWLZ-CKOAPEAFSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)/C=N/N=C/c1cccc(c1)[N+](=O)[O-]
NSC Number:
80713
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
298.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.258g/mol
Monoisotopic Mass:
298.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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