Home Halogens 2-(Bromomethyl)-4-chlorobenzonitrile

2-(Bromomethyl)-4-chlorobenzonitrile

CAS No.:
50712-67-9
Catalog Number:
AG00390F
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$400
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Product Description
Catalog Number:
AG00390F
Chemical Name:
2-(Bromomethyl)-4-chlorobenzonitrile
CAS Number:
50712-67-9
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD11847520
IUPAC Name:
2-(bromomethyl)-4-chlorobenzonitrile
InChI:
InChI=1S/C8H5BrClN/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2
InChI Key:
FKNQHVPLFJLZEV-UHFFFAOYSA-N
SMILES:
BrCc1cc(Cl)ccc1C#N
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:
2.8  
Properties