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1216686-76-8 | 5-(2-Chloro-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one
CAS No: 1216686-76-8 Catalog No: AG01F8F8 MDL No:
Product Description
Catalog Number:
AG01F8F8
Chemical Name:
5-(2-Chloro-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1216686-76-8
Molecular Formula:
C8H4ClN3O4
Molecular Weight:
241.5881
IUPAC Name:
5-(2-chloro-4-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H4ClN3O4/c9-6-3-4(12(14)15)1-2-5(6)7-10-11-8(13)16-7/h1-3H,(H,11,13)
InChI Key:
ZUPQLGZLJYUXGA-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1c1n[nH]c(=O)o1)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.587g/mol
Monoisotopic Mass:
240.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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