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928783-29-3 | 4-[5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[(methoxyamino)methylene]-2-methylbenzamide
CAS No: 928783-29-3 Catalog No: AG003ANO MDL No:
Product Description
Catalog Number:
AG003ANO
Chemical Name:
4-[5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[(methoxyamino)methylene]-2-methylbenzamide
CAS Number:
928783-29-3
Molecular Formula:
C20H16Cl2F3N3O3
Molecular Weight:
474.2605
IUPAC Name:
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide
InChI:
InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29)
InChI Key:
BPFUIWLQXNPZHI-UHFFFAOYSA-N
SMILES:
CO/N=C/NC(=O)c1ccc(cc1C)C1=NOC(C1)(c1cc(Cl)cc(c1)Cl)C(F)(F)F
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.052g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
474.261g/mol
Monoisotopic Mass:
473.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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