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89249-63-8 | Isoxazole, 5-(3-chlorophenoxy)-3-(diphenylmethyl)-4,5-dihydro-
CAS No: 89249-63-8 Catalog No: AG0043RU MDL No:
Product Description
Catalog Number:
AG0043RU
Chemical Name:
Isoxazole, 5-(3-chlorophenoxy)-3-(diphenylmethyl)-4,5-dihydro-
CAS Number:
89249-63-8
Molecular Formula:
C22H18ClNO2
Molecular Weight:
363.8368
IUPAC Name:
3-benzhydryl-5-(3-chlorophenoxy)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C22H18ClNO2/c23-18-12-7-13-19(14-18)25-21-15-20(24-26-21)22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21-22H,15H2
InChI Key:
NIQGWRBLFACKJT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OC1ON=C(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.841g/mol
Monoisotopic Mass:
363.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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