5-(tert-Butyl)benzoxazol-2(3H)-one - CAS 99854-88-3

Name: 5-(tert-Butyl)benzoxazol-2(3H)-one
Brand: BOC Sciences
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Catalog:	BB042354
Product Name:	5-(tert-Butyl)benzoxazol-2(3H)-one
CAS:	99854-88-3
Synonyms:	5-tert-butyl-3H-1,3-benzoxazol-2-one; 5-tert-butyl-3H-1,3-benzoxazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-3H-1,3-benzoxazol-2-one
Description:	5-(tert-Butyl)benzoxazol-2(3H)-one (CAS# 99854-88-3) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OC(=O)N2
InChI:	InChI=1S/C11H13NO2/c1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h4-6H,1-3H3,(H,12,13)
InChI Key:	CSKXTTYRNZFYNH-UHFFFAOYSA-N
MDL:	MFCD08446987
LogP:	2.83090

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Related Functional Groups

Benzoxazole/Benzothiazole

[1225716-41-5]C9H7NO2
1-(5-Benzoxazolyl)ethanone
[87874-18-8]C12H8N2O2S
N-(Benzo[d]thiazol-2-yl)furan-2-carboxamide
[1855907-41-3]C10H8F4N2OS
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[6481-01-2]C7H2Cl3NO
2,5,7-Trichlorobenzoxazole
[139549-26-1]C9H8ClNO
2-(Chloromethyl)-7-methylbenzoxazole
[858635-83-3]C9H6BrNO3S
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8