200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 89189-00-4
89189-00-4 | 1H-Indole, 3-methyl-2-(phenylmethyl)-, compd. with 2,4,6-trinitrophenol
CAS No: 89189-00-4 Catalog No: AG004TOM MDL No:
Product Description
Catalog Number:
AG004TOM
Chemical Name:
1H-Indole, 3-methyl-2-(phenylmethyl)-, compd. with 2,4,6-trinitrophenol
CAS Number:
89189-00-4
Molecular Formula:
C22H18N4O7
Molecular Weight:
450.4009
IUPAC Name:
2-benzyl-3-methyl-1H-indole;2,4,6-trinitrophenol
InChI:
InChI=1S/C16H15N.C6H3N3O7/c1-12-14-9-5-6-10-15(14)17-16(12)11-13-7-3-2-4-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10,17H,11H2,1H3;1-2,10H
InChI Key:
UVZZJNIDVFQMAE-UHFFFAOYSA-N
SMILES:
Cc1c(Cc2ccccc2)[nH]c2c1cccc2.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.118g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.407g/mol
Monoisotopic Mass:
450.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.