AG00D8YP

51791-12-9 | 3-(Chloromethyl)-1,2,4-oxadiazole

AG00D8YP

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CAS Number	51791-12-9
Catalog Number	AG00D8YP(AGN-PC-0KK7BY)
Chemical Name	3-(Chloromethyl)-1,2,4-oxadiazole
IUPAC Name	3-(chloromethyl)-1,2,4-oxadiazole
InChI	InChI=1S/C3H3ClN2O/c4-1-3-5-2-7-6-3/h2H,1H2
InChI Key	YSNKGJCEHOJIDK-UHFFFAOYSA-N
MDL Number	MFCD00052097
Molecular Formula	C3H3ClN2O
Molecular Weight	118.5217
SMILES	ClCC1=NOC=N1
Synonyms	3-(chloromethyl)-1,2,4-oxadiazole, 51791-12-9, 3-chloromethyl-1,2,4-oxadiazole, 1,2,4-Oxadiazole,3-(chloromethyl)-, AC1Q3U6J, SCHEMBL281886, AC1MC427, chloromethyl 1,2,4-oxadiazole, CTK4J4860, KS-00000JDD, DTXSID80370930, YSNKGJCEHOJIDK-UHFFFAOYSA-N, ALBB-004227, ZINC2169235, ANW-60673, MFCD00052097, SBB005592, STK503016, AKOS001213661, CC-1648, MCULE-4757110919, VZ26070, 1,2,4-Oxadiazole, 3-(chloromethyl)-, AJ-33951, AK-87005, BS-12694, SC-17116, AB1010171, DB-021700, TR-018440, BB 0254249, FT-0613728, X2943, EN300-23762, K-9497, A828777, I14-15586, F1905-0555, null, C3H3ClN2O, 3- -1,2,4-oxadiazole, ZINC02169235, CID2735765,

Complexity	60.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.993g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.52g/mol
Monoisotopic Mass	117.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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