AG0085KT

Name: 5-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
Brand: Angene Chemical
SKU: AG0085KT

10364-70-2 | 5-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

AG0085KT

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CAS Number	10364-70-2
Catalog Number	AG0085KT(AGN-PC-0WD0O3)
Chemical Name	5-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
IUPAC Name	5-butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI	InChI=1S/C12H13N3O3/c1-2-3-4-11-13-12(14-18-11)9-5-7-10(8-6-9)15(16)17/h5-8H,2-4H2,1H3
InChI Key	IGMYZGXSTXQVRF-UHFFFAOYSA-N
MDL Number	MFCD10699662
Molecular Formula	C12H13N3O3
Molecular Weight	247.2499
SMILES	O=[N+](C1=CC=C(C2=NOC(CCCC)=N2)C=C1)[O-]
Synonyms	5-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole, 10364-70-2, ACMC-20988j, SCHEMBL17978611, CTK4A2290, DTXSID20674500, ANW-14945, MFCD10699662, ZINC38537047, AKOS015839699, AJ-95832, CJ-19337, ST2406182, TR-000851, Z6680, A-4289, I14-25150, C12H13N3O3,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.096g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.254g/mol
Monoisotopic Mass	247.096g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited