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105620-83-5 | 5-Benzoxazolol, 2-(1,1-dimethylethyl)-
CAS No: 105620-83-5 Catalog No: AG0084FW MDL No:
Product Description
Catalog Number:
AG0084FW
Chemical Name:
5-Benzoxazolol, 2-(1,1-dimethylethyl)-
CAS Number:
105620-83-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
2-tert-butyl-1,3-benzoxazol-5-ol
InChI:
InChI=1S/C11H13NO2/c1-11(2,3)10-12-8-6-7(13)4-5-9(8)14-10/h4-6,13H,1-3H3
InChI Key:
ZSSIUCDABZEVAK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nc(o2)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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