AG005WHJ

959237-80-0 | 3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole

AG005WHJ

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CAS Number	959237-80-0
Catalog Number	AG005WHJ(AGN-PC-0WB3LL)
Chemical Name	3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole
IUPAC Name	3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole
InChI	InChI=1S/C6H7ClN2O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2
InChI Key	VIIBOHRJBXNITD-UHFFFAOYSA-N
MDL Number	MFCD09864335
Molecular Formula	C6H7ClN2O
Molecular Weight	158.5856
SMILES	ClCC1=NOC(C2CC2)=N1
Synonyms	3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole, 959237-80-0, 1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-CYCLOPROPYL-, AC1Q3U6G, SCHEMBL13717783, CTK5H8356, DTXSID00650887, ALBB-018611, 4474AF, BBL019380, MFCD09864335, STL183458, ZINC19090180, AKOS009092092, AB53827, CS-W004046, MCULE-9121294801, AJ-71359, DA-18447, AB0229567, AB1007476, FT-0708840, EN300-24402, Y-5724, F8881-1332, 3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole, AldrichCPR, null, C6H7ClN2O, 1-(2-bromoethyl)-1H-imidazole,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.585g/mol
Monoisotopic Mass	158.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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