KCYYEAXHTLHGMI-CMNXJCJSSA-N structure

KCYYEAXHTLHGMI-CMNXJCJSSA-N

(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]methanimine

Also Known As: AG-205/32454046|4-{2,4-bisnitrophenoxy}-3-methoxybenzaldehyde (4-{2,4-bisnitrophenoxy}-3-methoxybenzylidene)hydrazone|A0931/0043578|(1E,2E)-bis[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]hydrazine|(E,E)-BIS({[4-(2,4-DINITROPHENOXY)-3-METHOXYPHENYL]METHYLIDENE})HYDRAZINE|(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]methanimine

CAS: 339243-84-4
Molecular Formula C28H20N6O12
Molecular Weight 632.1139 g/mol
LogP 6.3742
Topological Polar Surface Area 234.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 14
Rotatable Bonds 13
Exact Mass 632.1139
Monoisotopic Mass 632.1139
Heavy Atoms 46
Complexity 1773.31

Chemical Identifiers

CAS Number 339243-84-4
SMILES COC1=C(C=CC(=C1)/C=N/N=C/C2=CC(=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Product Overview

KCYYEAXHTLHGMI-CMNXJCJSSA-N (CAS 339243-84-4), with molecular formula C28H20N6O12 and molecular weight 632.1139 g/mol. IUPAC: (E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-N-[(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]methanimine.

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