Home Nitriles 5-Bromo-2-(dimethylamino)benzonitrile

5-Bromo-2-(dimethylamino)benzonitrile

CAS No.:
501086-59-5
Catalog Number:
AG00DKFS
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG00DKFS
Chemical Name:
5-Bromo-2-(dimethylamino)benzonitrile
CAS Number:
501086-59-5
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
MDL Number:
MFCD21609719
IUPAC Name:
5-bromo-2-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H9BrN2/c1-12(2)9-4-3-8(10)5-7(9)6-11/h3-5H,1-2H3
InChI Key:
BOIXBQJIMKVCCD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1N(C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties