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3672-52-4 | isoxazole, 3-(4-methoxyphenyl)-5-phenyl-
CAS No: 3672-52-4 Catalog No: AG0078FL MDL No:
Product Description
Catalog Number:
AG0078FL
Chemical Name:
isoxazole, 3-(4-methoxyphenyl)-5-phenyl-
CAS Number:
3672-52-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3-(4-methoxyphenyl)-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-16(19-17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
WKUIJNBVNZBYOE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)c1ccccc1
NSC Number:
129406
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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