200,000+ products from a single source!
sales@angenechem.com
897402-12-9 | 1H-INDOLE-1-PENTANENITRILE, .DELTA.-(3-BROMOPHENYL)-7-(CYANOMETHOXY)-2,3-DIHYDRO-
CAS No: 897402-12-9 Catalog No: AG004163 MDL No:
Product Description
Catalog Number:
AG004163
Chemical Name:
1H-INDOLE-1-PENTANENITRILE, .DELTA.-(3-BROMOPHENYL)-7-(CYANOMETHOXY)-2,3-DIHYDRO-
CAS Number:
897402-12-9
Molecular Formula:
C21H20BrN3O
Molecular Weight:
410.3070
IUPAC Name:
5-(3-bromophenyl)-5-[7-(cyanomethoxy)-2,3-dihydroindol-1-yl]pentanenitrile
InChI:
InChI=1S/C21H20BrN3O/c22-18-7-3-6-17(15-18)19(8-1-2-11-23)25-13-10-16-5-4-9-20(21(16)25)26-14-12-24/h3-7,9,15,19H,1-2,8,10,13-14H2
InChI Key:
AIPLPQLELXMQNF-UHFFFAOYSA-N
SMILES:
N#CCCCC(N1CCc2c1c(ccc2)OCC#N)c1cccc(c1)Br
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.315g/mol
Monoisotopic Mass:
409.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.