2-chloro-1-ethyl-3,5-bis{[2-(2-nitrophenyl)hydrazinylidene]methyl}-1H-indole(CAS No. 70952-01-1)

Details:

【Name】
2-chloro-1-ethyl-3,5-bis{[2-(2-nitrophenyl)hydrazinylidene]methyl}-1H-indole
【CAS Registry number】
70952-01-1
【Synonyms】
AC1L89BH
N-[[2-CHLORO-1-ETHYL-5-[[(2-NITROPHENYL)HYDRAZINYLIDENE]METHYL]INDOL-3-YL]METHYLIDENEAMINO]-2-NITRO-ANILINE
N-[[2-chloro-1-ethyl-3-[[(2-nitrophenyl)hydrazinylidene]methyl]indol-5-yl]methylideneamino]-2-nitroaniline
【Molecular Formula】
C24H20ClN7O4 (Products with the same molecular formula)
【Molecular Weight】
505.9131
【Inchi】
InChI=1/C24H20ClN7O4/c1-2-30-21-12-11-16(14-26-28-19-7-3-5-9-22(19)31(33)34)13-17(21)18(24(30)25)15-27-29-20-8-4-6-10-23(20)32(35)36/h3-15,28-29H,2H2,1H3
【Canonical SMILES】
CCN1C2=C(C=C(C=C2)C=NNC3=CC=CC=C3[N+](=O)[O-])C(=C1Cl)C=NNC4=CC=CC=C4[N+](=O)[O-]
【MOL File】
70952-01-1.mol
Chemical and Physical Properties
【Density】
1.43g/cm3
【Boiling Point】
721.9°C at 760 mmHg
【Refractive Index】
1.689
【Flash Point】
390.4°C
【Computed Properties】
Molecular Weight:505.9131 [g/mol]
Molecular Formula:C24H20ClN7O4
XLogP3-AA:7.3
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:7
Exact Mass:505.12653
MonoIsotopic Mass:505.12653
Topological Polar Surface Area:145
Heavy Atom Count:36
Formal Charge:0
Complexity:819
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:2
Feature 3D Anion Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:172