Home Halogens 2-(2-bromoethoxy)benzonitrile

2-(2-bromoethoxy)benzonitrile

CAS No.:
59825-56-8
Catalog Number:
AG019WLE
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG019WLE
Chemical Name:
2-(2-bromoethoxy)benzonitrile
CAS Number:
59825-56-8
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD09817367
IUPAC Name:
2-(2-bromoethoxy)benzonitrile
InChI:
InChI=1S/C9H8BrNO/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-6H2
InChI Key:
PKMYDQVQJFGGBW-UHFFFAOYSA-N
SMILES:
BrCCOc1ccccc1C#N
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties