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118509-31-2 | 1,3,4-Oxadiazole-2-acetic acid, 5-(4-chlorophenyl)-
CAS No: 118509-31-2 Catalog No: AG000IZ7 MDL No:
Product Description
Catalog Number:
AG000IZ7
Chemical Name:
1,3,4-Oxadiazole-2-acetic acid, 5-(4-chlorophenyl)-
CAS Number:
118509-31-2
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
IUPAC Name:
2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
InChI:
InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-13-12-8(16-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChI Key:
URPHEJXRXMWZPF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nnc(o1)c1ccc(cc1)Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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