Home Halogens 2-Bromo-5-chlorophenylacetonitrile

2-Bromo-5-chlorophenylacetonitrile

CAS No.:
127792-49-8
Catalog Number:
AG000XF5
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$313
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Product Description
Catalog Number:
AG000XF5
Chemical Name:
2-Bromo-5-chlorophenylacetonitrile
CAS Number:
127792-49-8
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD18390586
IUPAC Name:
2-(2-bromo-5-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrClN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
InChI Key:
WFOFYTGSDGUGKN-UHFFFAOYSA-N
SMILES:
Clc1cc(CC#N)c(cc1)Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties