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1192018-89-5 | Benzoxazole, 6-(1,1-dimethylethyl)-2-(4-pyridinyl)-
CAS No: 1192018-89-5 Catalog No: AG000IDA MDL No:
Product Description
Catalog Number:
AG000IDA
Chemical Name:
Benzoxazole, 6-(1,1-dimethylethyl)-2-(4-pyridinyl)-
CAS Number:
1192018-89-5
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
6-tert-butyl-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C16H16N2O/c1-16(2,3)12-4-5-13-14(10-12)19-15(18-13)11-6-8-17-9-7-11/h4-10H,1-3H3
InChI Key:
VOJOYZYVOKSFEV-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)oc(n2)c1ccncc1)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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