Home Nitriles 1-Benzyl-1h-indole-4-carbonitrile

1-Benzyl-1h-indole-4-carbonitrile

CAS No.:
177548-00-4
Catalog Number:
AG0025DX
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$316
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Product Description
Catalog Number:
AG0025DX
Chemical Name:
1-Benzyl-1h-indole-4-carbonitrile
CAS Number:
177548-00-4
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
MDL Number:
MFCD15200968
IUPAC Name:
1-benzylindole-4-carbonitrile
InChI:
InChI=1S/C16H12N2/c17-11-14-7-4-8-16-15(14)9-10-18(16)12-13-5-2-1-3-6-13/h1-10H,12H2
InChI Key:
YGQZDFZJZXNPOO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccn2Cc1ccccc1
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