Name: Name:3-(2,4-di-tert-butylphenoxy)propanenitrile
Brand: Angene
SKU: AG01AA4Z
Rating: 90 (10 reviews)

3-(2,4-di-tert-butylphenoxy)propanenitrile

CAS No.:

1041594-75-5

Catalog Number:

AG01AA4Z

Molecular Formula:

C17H25NO

Molecular Weight:

259.3865

Catalog Number:

AG01AA4Z

Chemical Name:

3-(2,4-di-tert-butylphenoxy)propanenitrile

CAS Number:

1041594-75-5

Molecular Formula:

C17H25NO

Molecular Weight:

259.3865

MDL Number:

MFCD12737040

IUPAC Name:

3-(2,4-ditert-butylphenoxy)propanenitrile

InChI:

InChI=1S/C17H25NO/c1-16(2,3)13-8-9-15(19-11-7-10-18)14(12-13)17(4,5)6/h8-9,12H,7,11H2,1-6H3

InChI Key:

REHMHKBXKSFACE-UHFFFAOYSA-N

SMILES:

N#CCCOc1ccc(cc1C(C)(C)C)C(C)(C)C

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.393g/mol

Monoisotopic Mass:

259.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9