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Home > Indoles and Oxindole > 94547-82-7
94547-82-7 | 1,1',2,2'-tetramethyl-5,5'-dinitro-1,2-dihydro-1'h,3h-2,3'-biindol-3-one
CAS No: 94547-82-7 Catalog No: AG005WK2 MDL No:
Product Description
Catalog Number:
AG005WK2
Chemical Name:
1,1',2,2'-tetramethyl-5,5'-dinitro-1,2-dihydro-1'h,3h-2,3'-biindol-3-one
CAS Number:
94547-82-7
Molecular Formula:
C20H18N4O5
Molecular Weight:
394.3807
IUPAC Name:
2-(1,2-dimethyl-5-nitroindol-3-yl)-1,2-dimethyl-5-nitroindol-3-one
InChI:
InChI=1S/C20H18N4O5/c1-11-18(14-9-12(23(26)27)5-7-16(14)21(11)3)20(2)19(25)15-10-13(24(28)29)6-8-17(15)22(20)4/h5-10H,1-4H3
InChI Key:
REZVMGQBDQCMSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(=O)C(N2C)(C)c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])C
NSC Number:
75058
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.387g/mol
Monoisotopic Mass:
394.128g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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