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89249-62-7 | Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(2-methylphenoxy)-
CAS No: 89249-62-7 Catalog No: AG0043RV MDL No:
Product Description
Catalog Number:
AG0043RV
Chemical Name:
Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(2-methylphenoxy)-
CAS Number:
89249-62-7
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
3-benzhydryl-5-(2-methylphenoxy)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C23H21NO2/c1-17-10-8-9-15-21(17)25-22-16-20(24-26-22)23(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,22-23H,16H2,1H3
InChI Key:
OKZDAIQQEIBFAH-UHFFFAOYSA-N
SMILES:
Cc1ccccc1OC1ON=C(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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