3-methyl-N-[(9E)-2-...

3-methyl-N-[(9E)-2-nitro-9H-fluoren-9-ylidene]aniline(CAS No. 5454-99-9)

3-methyl-N-[(9E)-2-nitro-9H-fluoren-9-ylidene]aniline(CAS No. 5454-99-9)

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N-(3-methylphenyl)-2-nitro-fluoren-9-imine 5454-99-9 98%

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  • Appearance:Solid
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Details:

【Name】
3-methyl-N-[(9E)-2-nitro-9H-fluoren-9-ylidene]aniline
【CAS Registry number】
5454-99-9
【Synonyms】
3-methyl-n-[(9e)-2-nitro-9h-fluoren-9-ylidene]aniline
NSC23286
AC1L5HIA
AC1Q21QD
AR-1F4525
NSC-23286
N-(3-methylphenyl)-2-nitrofluoren-9-imine
【Molecular Formula】
C20H14N2O2 (Products with the same molecular formula)
【Molecular Weight】
314.3374
【Inchi】
InChI=1/C20H14N2O2/c1-13-5-4-6-14(11-13)21-20-18-8-3-2-7-16(18)17-10-9-15(22(23)24)12-19(17)20/h2-12H,1H3/b21-20+
【Canonical SMILES】
CC1=CC(=CC=C1)N=C2C3=CC=CC=C3C4=C2C=C(C=C4)[N+](=O)[O-]
【MOL File】
5454-99-9.mol
Chemical and Physical Properties
【Density】
1.25g/cm3
【Boiling Point】
497.6°C at 760 mmHg
【Refractive Index】
1.668
【Flash Point】
254.8°C
【Computed Properties】
Molecular Weight:314.33736 [g/mol]
Molecular Formula:C20H14N2O2
XLogP3-AA:5.1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:314.105528
MonoIsotopic Mass:314.105528
Topological Polar Surface Area:58.2
Heavy Atom Count:24
Formal Charge:0
Complexity:512
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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