AG00DD2K

54042-97-6 | 5-(CHLOROMETHYL)-3-ISOPROPYL-1,2,4-OXADIAZOLE

AG00DD2K

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CAS Number	54042-97-6
Catalog Number	AG00DD2K(AGN-PC-00MQJV)
Chemical Name	5-(CHLOROMETHYL)-3-ISOPROPYL-1,2,4-OXADIAZOLE
IUPAC Name	5-(chloromethyl)-3-propan-2-yl-1,2,4-oxadiazole
InChI	InChI=1S/C6H9ClN2O/c1-4(2)6-8-5(3-7)10-9-6/h4H,3H2,1-2H3
InChI Key	DZQYANBJKKYDKC-UHFFFAOYSA-N
MDL Number	MFCD08691639
Molecular Formula	C6H9ClN2O
Molecular Weight	160.6015
SMILES	CC(C1=NOC(CCl)=N1)C
Synonyms	5-(chloromethyl)-3-isopropyl-1,2,4-oxadiazole, 54042-97-6, 5-(chloromethyl)-3-(propan-2-yl)-1,2,4-oxadiazole, 5-chloromethyl-3-isopropyl-[1,2,4]oxadiazole, 1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-(1-METHYLETHYL)-, AC1Q1OZB, KSC268Q2P, SCHEMBL461807, CTK1G8827, DTXSID00541802, DZQYANBJKKYDKC-UHFFFAOYSA-N, ALBB-012349, KS-000010NP, BBL009737, MFCD08691639, STL142006, ZINC12505490, AKOS000202270, AB48375, AN-2731, LS40783, MCULE-6025420800, AC-25470, AJ-62529, CJ-14151, CS-10447, SC-65993, AB0003650, FT-0683564, 5-chloromethyl-3-isopropyl-1,2,4-oxadiazole, EN300-27390, Y-4310, 5-chloromethyl-3-isopropyl-[1,2,4]-oxadiazole, 144063-EP2287165A2, 144063-EP2287166A2, 144063-EP2292620A2, 5-(Chloromethyl)-3-iso-propyl-1,2,4-oxadiazole, 5-(chloromethyl)-3-propan-2-yl-1,2,4-oxadiazole, I14-28774, F2185-0020, 5-(Chloromethyl)-3-isopropyl-1,2,4-oxadiazole, AldrichCPR, 4-anilino-4-methylpentan-2-one,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.04g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.601g/mol
Monoisotopic Mass	160.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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