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

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

CAS No.:
1414029-13-2
Catalog Number:
AG009WXK
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
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:
AG009WXK
Chemical Name:
7-Bromo-1-methyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1414029-13-2
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
MDL Number:
MFCD22574965
IUPAC Name:
7-bromo-1-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H6BrN3/c1-13-5-12-8-3-6(4-11)2-7(10)9(8)13/h2-3,5H,1H3
InChI Key:
PSBXYCFAHFQBOB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)ncn2C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties