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116221-81-9 | Carbamic acid, [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-, ethyl ester (9CI)
CAS No: 116221-81-9 Catalog No: AG000BYG MDL No:
Product Description
Catalog Number:
AG000BYG
Chemical Name:
Carbamic acid, [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-, ethyl ester (9CI)
CAS Number:
116221-81-9
Molecular Formula:
C11H10ClN3O3
Molecular Weight:
267.6684
IUPAC Name:
ethyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]carbamate
InChI:
InChI=1S/C11H10ClN3O3/c1-2-17-11(16)13-10-15-14-9(18-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,15,16)
InChI Key:
MQXDFYOKYMRWBI-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nnc(o1)c1ccc(cc1)Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.669g/mol
Monoisotopic Mass:
267.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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