Home Nitriles 2-(2-Bromoethyl)benzonitrile

2-(2-Bromoethyl)benzonitrile

CAS No.:
101860-81-5
Catalog Number:
AG0096T4
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG0096T4
Chemical Name:
2-(2-Bromoethyl)benzonitrile
CAS Number:
101860-81-5
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD24462563
IUPAC Name:
2-(2-bromoethyl)benzonitrile
InChI:
InChI=1S/C9H8BrN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-6H2
InChI Key:
IYZRKPDDKSEWCW-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties