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78620-31-2 | 1,3,4-Oxadiazol-2(3H)-one,5-(3-chlorobenzo[b]thien-2-yl)-
CAS No: 78620-31-2 Catalog No: AG005K2X MDL No:
Product Description
Catalog Number:
AG005K2X
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one,5-(3-chlorobenzo[b]thien-2-yl)-
CAS Number:
78620-31-2
Molecular Formula:
C10H5ClN2O2S
Molecular Weight:
252.6769
IUPAC Name:
5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H5ClN2O2S/c11-7-5-3-1-2-4-6(5)16-8(7)9-12-13-10(14)15-9/h1-4H,(H,13,14)
InChI Key:
DDAPBGYGEUXJAC-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1sc2c(c1Cl)cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.672g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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