200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 179748-04-0
179748-04-0 | 1H-Indole-5-carbonitrile, 2-(phenylmethyl)-
CAS No: 179748-04-0 Catalog No: AG00278K MDL No:
Product Description
Catalog Number:
AG00278K
Chemical Name:
1H-Indole-5-carbonitrile, 2-(phenylmethyl)-
CAS Number:
179748-04-0
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
2-benzyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C16H12N2/c17-11-13-6-7-16-14(8-13)10-15(18-16)9-12-4-2-1-3-5-12/h1-8,10,18H,9H2
InChI Key:
VKYBDBGOLWABIR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc([nH]2)Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.