Home Nitriles 5-Bromo-2-cyanobenzeneacetonitrile

5-Bromo-2-cyanobenzeneacetonitrile

CAS No.:
925672-88-4
Catalog Number:
AG0063WT
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
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Product Description
Catalog Number:
AG0063WT
Chemical Name:
5-Bromo-2-cyanobenzeneacetonitrile
CAS Number:
925672-88-4
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD09999213
IUPAC Name:
4-bromo-2-(cyanomethyl)benzonitrile
InChI:
InChI=1S/C9H5BrN2/c10-9-2-1-8(6-12)7(5-9)3-4-11/h1-2,5H,3H2
InChI Key:
ULEYEDQUDZWJBR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)ccc1C#N
Properties
Complexity:
244  
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  
Properties