Home Nitriles 1-Benzyl-2-methyl-1,3-benzodiazole-5-carbonitrile

1-Benzyl-2-methyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1403483-72-6
Catalog Number:
AG009WZ2
Molecular Formula:
C16H13N3
Molecular Weight:
247.2945
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009WZ2
Chemical Name:
1-Benzyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1403483-72-6
Molecular Formula:
C16H13N3
Molecular Weight:
247.2945
MDL Number:
MFCD22549342
IUPAC Name:
1-benzyl-2-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C16H13N3/c1-12-18-15-9-14(10-17)7-8-16(15)19(12)11-13-5-3-2-4-6-13/h2-9H,11H2,1H3
InChI Key:
DJGSHZNASXSXGL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2Cc1ccccc1)C
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties