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Home Nitriles 7-Bromo-2-methyl-1H-1,3-benzodiazole-5-carbonitrile

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

CAS No.:
1951445-04-7
Catalog Number:
AG00I3CW
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$437
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00I3CW
Chemical Name:
7-Bromo-2-methyl-1H-1,3-benzodiazole-5-carbonitrile
CAS Number:
1951445-04-7
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
MDL Number:
MFCD29917489
IUPAC Name:
7-bromo-2-methyl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H6BrN3/c1-5-12-8-3-6(4-11)2-7(10)9(8)13-5/h2-3H,1H3,(H,12,13)
InChI Key:
RCNCHDDFAYNHMF-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)c(Br)cc(c2)C#N
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:
1  
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties