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78620-19-6 | 1,3,4-Oxadiazol-2(3H)-one, 5-(4-methyl-2-benzoxazolyl)-
CAS No: 78620-19-6 Catalog No: AG00527C MDL No:
Product Description
Catalog Number:
AG00527C
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(4-methyl-2-benzoxazolyl)-
CAS Number:
78620-19-6
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-(4-methyl-1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C10H7N3O3/c1-5-3-2-4-6-7(5)11-8(15-6)9-12-13-10(14)16-9/h2-4H,1H3,(H,13,14)
InChI Key:
XXZDIHQTCFREFN-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)c1oc2c(n1)c(C)ccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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