Home Nitriles 7-Bromo-1-butyl-1,3-benzodiazole-5-carbonitrile

7-Bromo-1-butyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1437794-68-7
Catalog Number:
AG00AQHA
Molecular Formula:
C12H12BrN3
Molecular Weight:
278.1478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00AQHA
Chemical Name:
7-Bromo-1-butyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1437794-68-7
Molecular Formula:
C12H12BrN3
Molecular Weight:
278.1478
MDL Number:
MFCD24448837
IUPAC Name:
7-bromo-1-butylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C12H12BrN3/c1-2-3-4-16-8-15-11-6-9(7-14)5-10(13)12(11)16/h5-6,8H,2-4H2,1H3
InChI Key:
PJNBAMLEOLGQCR-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1c(Br)cc(c2)C#N
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.153g/mol
Monoisotopic Mass:
277.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties