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1260774-15-9 | 1,2,4-Oxadiazole-3-carboxylic acid, 5-(3-chlorophenyl)-
CAS No: 1260774-15-9 Catalog No: AG000R7D MDL No:MFCD09027677
Product Description
Catalog Number:
AG000R7D
Chemical Name:
1,2,4-Oxadiazole-3-carboxylic acid, 5-(3-chlorophenyl)-
CAS Number:
1260774-15-9
Molecular Formula:
C9H5ClN2O3
Molecular Weight:
224.6006
MDL Number:
MFCD09027677
IUPAC Name:
5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C9H5ClN2O3/c10-6-3-1-2-5(4-6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14)
InChI Key:
LBWGRKPCZIWXGR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1onc(n1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.6g/mol
Monoisotopic Mass:
223.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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