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180142-96-5 | Benzenamine, 2-ethyl-6-methyl-N-(2,4,7-trinitro-9H-fluoren-9-ylidene)-
CAS No: 180142-96-5 Catalog No: AG0021PW MDL No:
Product Description
Catalog Number:
AG0021PW
Chemical Name:
Benzenamine, 2-ethyl-6-methyl-N-(2,4,7-trinitro-9H-fluoren-9-ylidene)-
CAS Number:
180142-96-5
Molecular Formula:
C22H16N4O6
Molecular Weight:
432.3856
IUPAC Name:
N-(2-ethyl-6-methylphenyl)-2,4,7-trinitrofluoren-9-imine
InChI:
InChI=1S/C22H16N4O6/c1-3-13-6-4-5-12(2)21(13)23-22-17-9-14(24(27)28)7-8-16(17)20-18(22)10-15(25(29)30)11-19(20)26(31)32/h4-11H,3H2,1-2H3
InChI Key:
LFGXBBRLMSFXJD-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1N=C1c2cc(ccc2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.107g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.392g/mol
Monoisotopic Mass:
432.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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