Home Nitriles 4-Bromo-2,6-dimethylbenzonitrile

4-Bromo-2,6-dimethylbenzonitrile

CAS No.:
5757-66-4
Catalog Number:
AG00EE25
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG00EE25
Chemical Name:
4-Bromo-2,6-dimethylbenzonitrile
CAS Number:
5757-66-4
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD01463960
IUPAC Name:
4-bromo-2,6-dimethylbenzonitrile
InChI:
InChI=1S/C9H8BrN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3
InChI Key:
LAYDFDMDUCVHBO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(cc1C)Br
Properties
Complexity:
169  
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties