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648422-76-8 | Phenol, 4-[5-(1,1-dimethylpropyl)-2-benzoxazolyl]-
CAS No: 648422-76-8 Catalog No: AG006TOE MDL No:
Product Description
Catalog Number:
AG006TOE
Chemical Name:
Phenol, 4-[5-(1,1-dimethylpropyl)-2-benzoxazolyl]-
CAS Number:
648422-76-8
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenol
InChI:
InChI=1S/C18H19NO2/c1-4-18(2,3)13-7-10-16-15(11-13)19-17(21-16)12-5-8-14(20)9-6-12/h5-11,20H,4H2,1-3H3
InChI Key:
ZGCYLWWUPQAKOE-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)nc(o2)c1ccc(cc1)O)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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