Home Halogens 2-(3-BroMo-5-chlorophenyl)acetonitrile

2-(3-BroMo-5-chlorophenyl)acetonitrile

CAS No.:
1056454-88-6
Catalog Number:
AG0095XD
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
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Product Description
Catalog Number:
AG0095XD
Chemical Name:
2-(3-BroMo-5-chlorophenyl)acetonitrile
CAS Number:
1056454-88-6
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD13195464
IUPAC Name:
2-(3-bromo-5-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrClN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key:
MNLUEMZAOJCLTR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)cc(c1)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