Home Nitriles 1-Butyl-1,3-benzodiazole-5-carbonitrile

1-Butyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1403483-90-8
Catalog Number:
AG009WZL
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009WZL
Chemical Name:
1-Butyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1403483-90-8
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD22549339
IUPAC Name:
1-butylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C12H13N3/c1-2-3-6-15-9-14-11-7-10(8-13)4-5-12(11)15/h4-5,7,9H,2-3,6H2,1H3
InChI Key:
CRDWQTFMKLJZAP-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1ccc(c2)C#N
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties