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53716-50-0 | Oxfendazole
CAS No: 53716-50-0 Catalog No: AG003TIR MDL No:MFCD00801063
Product Description
Catalog Number:
AG003TIR
Chemical Name:
Oxfendazole
CAS Number:
53716-50-0
Molecular Formula:
C15H13N3O3S
Molecular Weight:
315.3470
MDL Number:
MFCD00801063
IUPAC Name:
methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChI Key:
BEZZFPOZAYTVHN-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1
EC Number:
258-714-5
UNII:
OMP2H17F9E
NSC Number:
758943
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.347g/mol
Monoisotopic Mass:
315.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
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