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88740-87-8 | Benzoxazole, 7-(1,1-dimethylethyl)-5-(4-methoxyphenyl)-2-methyl-
CAS No: 88740-87-8 Catalog No: AG004FVI MDL No:
Product Description
Catalog Number:
AG004FVI
Chemical Name:
Benzoxazole, 7-(1,1-dimethylethyl)-5-(4-methoxyphenyl)-2-methyl-
CAS Number:
88740-87-8
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
7-tert-butyl-5-(4-methoxyphenyl)-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C19H21NO2/c1-12-20-17-11-14(13-6-8-15(21-5)9-7-13)10-16(18(17)22-12)19(2,3)4/h6-11H,1-5H3
InChI Key:
VFOKWJACNKZQLS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2nc(oc2c(c1)C(C)(C)C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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