sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 7-Bromo-1-butyl-2-methyl-1,3-benzodiazole-5-carbonitrile

7-Bromo-1-butyl-2-methyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1423037-54-0
Catalog Number:
AG009WVU
Molecular Formula:
C13H14BrN3
Molecular Weight:
292.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
10g
96%
In Stock USA
United States
$525
- +
25g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG009WVU
Chemical Name:
7-Bromo-1-butyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1423037-54-0
Molecular Formula:
C13H14BrN3
Molecular Weight:
292.1744
MDL Number:
MFCD23135972
IUPAC Name:
7-bromo-1-butyl-2-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C13H14BrN3/c1-3-4-5-17-9(2)16-12-7-10(8-15)6-11(14)13(12)17/h6-7H,3-5H2,1-2H3
InChI Key:
MGRNNFSGHAUAKS-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)nc2c1c(Br)cc(c2)C#N
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.037g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.18g/mol
Monoisotopic Mass:
291.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties