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849132-72-5 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(2,4-dichloro-5-fluorophenyl)-
CAS No: 849132-72-5 Catalog No: AG004LY2 MDL No:
Product Description
Catalog Number:
AG004LY2
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(2,4-dichloro-5-fluorophenyl)-
CAS Number:
849132-72-5
Molecular Formula:
C8H3Cl2FN2OS
Molecular Weight:
265.0916
IUPAC Name:
5-(2,4-dichloro-5-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H3Cl2FN2OS/c9-4-2-5(10)6(11)1-3(4)7-12-13-8(15)14-7/h1-2H,(H,13,15)
InChI Key:
XLOURWFYNLSNJV-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1c1n[nH]c(=S)o1)F
NSC Number:
726614
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.933g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.083g/mol
Monoisotopic Mass:
263.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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