Home Nitriles 1-Benzyl-1h-indole-5-carbonitrile

1-Benzyl-1h-indole-5-carbonitrile

CAS No.:
80531-13-1
Catalog Number:
AG00G4K4
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00G4K4
Chemical Name:
1-Benzyl-1h-indole-5-carbonitrile
CAS Number:
80531-13-1
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
MDL Number:
MFCD15200964
IUPAC Name:
1-benzylindole-5-carbonitrile
InChI:
InChI=1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
InChI Key:
XZCSETGZSGBGCI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccn2Cc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties