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1192018-77-1 | Benzoxazole, 5-(1-methylethyl)-2-(4-pyridinyl)-
CAS No: 1192018-77-1 Catalog No: AG000P6D MDL No:
Product Description
Catalog Number:
AG000P6D
Chemical Name:
Benzoxazole, 5-(1-methylethyl)-2-(4-pyridinyl)-
CAS Number:
1192018-77-1
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
5-propan-2-yl-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C15H14N2O/c1-10(2)12-3-4-14-13(9-12)17-15(18-14)11-5-7-16-8-6-11/h3-10H,1-2H3
InChI Key:
SKRPLUZLOGOARK-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)nc(o2)c1ccncc1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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