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1192018-70-4 | Benzoxazole, 5-butyl-2-(4-pyridinyl)-
CAS No: 1192018-70-4 Catalog No: AG000P6E MDL No:
Product Description
Catalog Number:
AG000P6E
Chemical Name:
Benzoxazole, 5-butyl-2-(4-pyridinyl)-
CAS Number:
1192018-70-4
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
5-butyl-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C16H16N2O/c1-2-3-4-12-5-6-15-14(11-12)18-16(19-15)13-7-9-17-10-8-13/h5-11H,2-4H2,1H3
InChI Key:
YHDYMJGUDRQDQU-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)nc(o2)c1ccncc1
Properties
Complexity:
278
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:
4
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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