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1267427-47-3 | Benzoxazole, 5-(1,1-dimethylethyl)-2-ethyl-
CAS No: 1267427-47-3 Catalog No: AG000T6A MDL No:MFCD19375298
Product Description
Catalog Number:
AG000T6A
Chemical Name:
Benzoxazole, 5-(1,1-dimethylethyl)-2-ethyl-
CAS Number:
1267427-47-3
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD19375298
IUPAC Name:
5-tert-butyl-2-ethyl-1,3-benzoxazole
InChI:
InChI=1S/C13H17NO/c1-5-12-14-10-8-9(13(2,3)4)6-7-11(10)15-12/h6-8H,5H2,1-4H3
InChI Key:
WUTDIUFMMJPIQW-UHFFFAOYSA-N
SMILES:
CCc1oc2c(n1)cc(cc2)C(C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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