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1246213-27-3 | 2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
CAS No: 1246213-27-3 Catalog No: AG003A51 MDL No:MFCD26393887
Product Description
Catalog Number:
AG003A51
Chemical Name:
2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
CAS Number:
1246213-27-3
Molecular Formula:
C21H25NO
Molecular Weight:
307.4293
MDL Number:
MFCD26393887
IUPAC Name:
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C21H25NO/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChI Key:
OQNXXSOKIYYHPZ-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(ccc1OCc1ccccc1)C(C)(C)C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.437g/mol
Monoisotopic Mass:
307.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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