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849021-33-6 | 2-(Benzo[d]oxazol-2-yl)-1-(4-(tert-butyl)phenyl)ethanone
CAS No: 849021-33-6 Catalog No: AG004Q1V MDL No:MFCD04037909
Product Description
Catalog Number:
AG004Q1V
Chemical Name:
2-(Benzo[d]oxazol-2-yl)-1-(4-(tert-butyl)phenyl)ethanone
CAS Number:
849021-33-6
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
MDL Number:
MFCD04037909
IUPAC Name:
2-(1,3-benzoxazol-2-yl)-1-(4-tert-butylphenyl)ethanone
InChI:
InChI=1S/C19H19NO2/c1-19(2,3)14-10-8-13(9-11-14)16(21)12-18-20-15-6-4-5-7-17(15)22-18/h4-11H,12H2,1-3H3
InChI Key:
ZEGSTFWPJWLKSN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)Cc1nc2c(o1)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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