Home Nitriles 5-tert-butyl-2-methoxybenzonitrile

5-tert-butyl-2-methoxybenzonitrile

CAS No.:
85943-30-2
Catalog Number:
AG01C4I6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C4I6
Chemical Name:
5-tert-butyl-2-methoxybenzonitrile
CAS Number:
85943-30-2
MDL Number:
MFCD14537679
IUPAC Name:
5-tert-butyl-2-methoxybenzonitrile
InChI:
InChI=1S/C12H15NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,1-4H3
InChI Key:
XWWHEVCXDNAOKH-UHFFFAOYSA-N
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties