Home Nitriles 4-Bromobenzonitrile-d4

4-Bromobenzonitrile-d4

CAS No.:
771534-56-6
Catalog Number:
AG00G3GH
Molecular Formula:
C7BrD4N
Molecular Weight:
186.0420
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$307
- +
250mg
97%
1 week
United States
$495
- +
1g
97%
1 week
United States
$1250
- +
Product Description
Catalog Number:
AG00G3GH
Chemical Name:
4-Bromobenzonitrile-d4
CAS Number:
771534-56-6
Molecular Formula:
C7BrD4N
Molecular Weight:
186.0420
MDL Number:
MFCD08704924
IUPAC Name:
4-bromo-2,3,5,6-tetradeuteriobenzonitrile
InChI:
InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H/i1D,2D,3D,4D
InChI Key:
HQSCPPCMBMFJJN-RHQRLBAQSA-N
SMILES:
c1([2H])c(C#N)c([2H])c(c(c1[2H])Br)[2H]
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.978g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
186.044g/mol
Monoisotopic Mass:
184.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties