AG00CMSX

3209-40-3 | ethyl 5-(chloromethyl)-3-isoxazolecarboxylate

AG00CMSX

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CAS Number	3209-40-3
Catalog Number	AG00CMSX(AGN-PC-002CHY)
Chemical Name	ethyl 5-(chloromethyl)-3-isoxazolecarboxylate
IUPAC Name	ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C7H8ClNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3
InChI Key	RNURPQMTRDHCNM-UHFFFAOYSA-N
MDL Number	MFCD08445409
Molecular Formula	C7H8ClNO3
Molecular Weight	189.5963
SMILES	O=C(C1=NOC(CCl)=C1)OCC
Synonyms	3209-40-3, ethyl 5-(chloromethyl)isoxazole-3-carboxylate, Ethyl 5-(chloromethyl)-3-isoxazolecarboxylate, ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate, ethyl 5-chloromethylisoxazole-3-carboxylate, 5-CHLOROMETHYL-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, RNURPQMTRDHCNM-UHFFFAOYSA-N, AMOT0321, SCHEMBL1166530, CTK4G8202, DTXSID30562904, ALBB-006873, KS-00001AM6, ZINC9224906, ZX-AN006507, ZX-RL004490, MFCD08445409, SBB014470, STK282923, AKOS000265758, AB45286, ACM3209403, AM85725, MCULE-8836698694, CS-10401, OR300690, DB-068582, ST4140170, TR-013534, CS-0038750, FT-0679271, Z-0644, Ehyl 5-(Chloromethyl)-1,2-oxazole-3-carboxylate, I14-28761, 3-Isoxazolecarboxylicacid, 5-(chloromethyl)-, ethyl ester, ethyl5- -3-isoxazolecarboxylate,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.595g/mol
Monoisotopic Mass	189.019g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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