Home Halogens 4-bromo-3-(chloromethyl)benzonitrile

4-bromo-3-(chloromethyl)benzonitrile

CAS No.:
853027-80-2
Catalog Number:
AG01BDXJ
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
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Product Description
Catalog Number:
AG01BDXJ
Chemical Name:
4-bromo-3-(chloromethyl)benzonitrile
CAS Number:
853027-80-2
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD16037300
IUPAC Name:
4-bromo-3-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H5BrClN/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3H,4H2
InChI Key:
LLGFFUBORHKIQF-UHFFFAOYSA-N
SMILES:
ClCc1cc(C#N)ccc1Br
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:
2.7  
Properties