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116236-32-9 | Carbamic acid, [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-, ethyl ester (9CI)
CAS No: 116236-32-9 Catalog No: AG000BZN MDL No:
Product Description
Catalog Number:
AG000BZN
Chemical Name:
Carbamic acid, [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-, ethyl ester (9CI)
CAS Number:
116236-32-9
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
ethyl N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamate
InChI:
InChI=1S/C12H13N3O4/c1-3-18-12(16)13-11-15-14-10(19-11)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChI Key:
AEVKZUILGQFPEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nnc(o1)c1ccc(cc1)OC
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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