Name: Name:2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile
Brand: Angene
SKU: AG003A51
Rating: 90 (10 reviews)

2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile

CAS No.:

1246213-27-3

Catalog Number:

AG003A51

Molecular Formula:

C21H25NO

Molecular Weight:

307.4293

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United States

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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

Complexity:

419

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.437g/mol

Monoisotopic Mass:

307.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6