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754991-55-4 | Isoxazole, 2-(diphenylmethyl)-2,5-dihydro-3-phenyl-
CAS No: 754991-55-4 Catalog No: AG005K6F MDL No:
Product Description
Catalog Number:
AG005K6F
Chemical Name:
Isoxazole, 2-(diphenylmethyl)-2,5-dihydro-3-phenyl-
CAS Number:
754991-55-4
Molecular Formula:
C22H19NO
Molecular Weight:
313.3924
IUPAC Name:
2-benzhydryl-3-phenyl-5H-1,2-oxazole
InChI:
InChI=1S/C22H19NO/c1-4-10-18(11-5-1)21-16-17-24-23(21)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,22H,17H2
InChI Key:
RVSBWUHSWPNTMY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CCON1C(c1ccccc1)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.4g/mol
Monoisotopic Mass:
313.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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