Home Halogens 2-(4-bromophenyl)propanedinitrile

2-(4-bromophenyl)propanedinitrile

CAS No.:
86239-14-7
Catalog Number:
AG01BDLR
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
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Product Description
Catalog Number:
AG01BDLR
Chemical Name:
2-(4-bromophenyl)propanedinitrile
CAS Number:
86239-14-7
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD28023638
IUPAC Name:
2-(4-bromophenyl)propanedinitrile
InChI:
InChI=1S/C9H5BrN2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8H
InChI Key:
ZOZOWXUZIYDYRQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Br)C#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties