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27617-98-7 | Phenol, 4-[2-(2-benzoxazolyl)ethyl]-2,6-bis(1,1-dimethylethyl)-
CAS No: 27617-98-7 Catalog No: AG002U91 MDL No:
Product Description
Catalog Number:
AG002U91
Chemical Name:
Phenol, 4-[2-(2-benzoxazolyl)ethyl]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
27617-98-7
Molecular Formula:
C23H29NO2
Molecular Weight:
351.4819
IUPAC Name:
4-[2-(1,3-benzoxazol-2-yl)ethyl]-2,6-ditert-butylphenol
InChI:
InChI=1S/C23H29NO2/c1-22(2,3)16-13-15(14-17(21(16)25)23(4,5)6)11-12-20-24-18-9-7-8-10-19(18)26-20/h7-10,13-14,25H,11-12H2,1-6H3
InChI Key:
NRWAQXSHQJBMFX-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)CCc1nc2c(o1)cccc2)C(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.49g/mol
Monoisotopic Mass:
351.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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