Home Nitriles 2-Methyl-1-phenylbenzodiazole-5-carbonitrile

2-Methyl-1-phenylbenzodiazole-5-carbonitrile

CAS No.:
63339-94-6
Catalog Number:
AG00EKKU
Molecular Formula:
C15H11N3
Molecular Weight:
233.2679
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$400
- +
5g
95%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00EKKU
Chemical Name:
2-Methyl-1-phenylbenzodiazole-5-carbonitrile
CAS Number:
63339-94-6
Molecular Formula:
C15H11N3
Molecular Weight:
233.2679
MDL Number:
MFCD00438826
IUPAC Name:
2-methyl-1-phenylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C15H11N3/c1-11-17-14-9-12(10-16)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-9H,1H3
InChI Key:
KMNQFPMSZAJXGL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2c1ccccc1)C
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.274g/mol
Monoisotopic Mass:
233.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties