200,000+ products from a single source!
sales@angenechem.com
119569-97-0 | 3H-Indolium, 2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
CAS No: 119569-97-0 Catalog No: AG000IZ4 MDL No:
Product Description
Catalog Number:
AG000IZ4
Chemical Name:
3H-Indolium, 2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
CAS Number:
119569-97-0
Molecular Formula:
C27H30ClIN2
Molecular Weight:
544.8980
IUPAC Name:
2-[3-chloro-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-1,3,3-trimethylindole;iodide
InChI:
InChI=1S/C27H30ClN2.HI/c1-26(2)20-11-7-9-13-22(20)29(5)24(26)17-15-19(28)16-18-25-27(3,4)21-12-8-10-14-23(21)30(25)6;/h7-18H,1-6H3;1H/q+1;/p-1
InChI Key:
LALXFJVJPCWWQU-UHFFFAOYSA-M
SMILES:
ClC(=CC=C1N(C)c2c(C1(C)C)cccc2)C=CC1=[N+](C)c2c(C1(C)C)cccc2.[I-]
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.114g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.905g/mol
Monoisotopic Mass:
544.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.