200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 141031-27-8
141031-27-8 | 1H-Indole, 2,3-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No: 141031-27-8 Catalog No: AG006Z70 MDL No:
Product Description
Catalog Number:
AG006Z70
Chemical Name:
1H-Indole, 2,3-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS Number:
141031-27-8
Molecular Formula:
C16H14N4O6
Molecular Weight:
358.3056
IUPAC Name:
2,3-dimethyl-1H-indole;1,3,5-trinitrobenzene
InChI:
InChI=1S/C10H11N.C6H3N3O6/c1-7-8(2)11-10-6-4-3-5-9(7)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-6,11H,1-2H3;1-3H
InChI Key:
SPPWKUFLKWMEGF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cc1[nH]c2c(c1C)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.31g/mol
Monoisotopic Mass:
358.091g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.