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288844-47-3 | Phenol, 4-(1,1-dimethylethyl)-2-(5-isoxazolyl)-
CAS No: 288844-47-3 Catalog No: AG002WXA MDL No:
Product Description
Catalog Number:
AG002WXA
Chemical Name:
Phenol, 4-(1,1-dimethylethyl)-2-(5-isoxazolyl)-
CAS Number:
288844-47-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
4-tert-butyl-2-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C13H15NO2/c1-13(2,3)9-4-5-11(15)10(8-9)12-6-7-14-16-12/h4-8,15H,1-3H3
InChI Key:
MSGRKHDVPYLLNB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1ccno1)C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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