AG00382E

34034-87-2 | Diethyl 2-chloro-3-oxosuccinate

AG00382E

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CAS Number	34034-87-2
Catalog Number	AG00382E(AGN-PC-05W6V8)
Chemical Name	Diethyl 2-chloro-3-oxosuccinate
IUPAC Name	diethyl 2-chloro-3-oxobutanedioate
InChI	InChI=1S/C8H11ClO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5H,3-4H2,1-2H3
InChI Key	JNQWFLVFHCCWPV-UHFFFAOYSA-N
MDL Number	MFCD04114359
Molecular Formula	C8H11ClO5
Molecular Weight	222.6229
SMILES	ClC(C(=O)OCC)C(C(=O)OCC)=O
Synonyms	34034-87-2, DIETHYL 2-CHLORO-3-OXOSUCCINATE, 2-Chloro-3-oxo-succinic acid diethyl ester, Diethyl Chlorooxalacetate, 1,4-diethyl 2-chloro-3-oxobutanedioate, diethyl 3-chloro-2-oxo-butanedioate, Butanedioic acid, chlorooxo-, diethyl ester, Diethyl 2-chloro-3-oxo-butanedioate, ACMC-1AES5, C8H11ClO5, KSC571M4N, iethyl 2-chloro-3-oxosuccinate, SCHEMBL1445319, diethyl 3-chloro-2-oxosuccinate, CTK4H1646, DTXSID60451317, JNQWFLVFHCCWPV-UHFFFAOYSA-N, Chlorooxalacetic Acid Diethyl Ester, Diethyl 2-chloro-3-oxobutanedioate, ACT08582, ANW-27766, MFCD04114359, 3-Chlorooxaloacetic acid diethyl ester, AKOS005145939, AB18138, AN-3426, CD-1809, CS-W013109, RP27414, TRA0100052, VZ31813, WT81461, KS-0000106N, BR-48169, DS-14618, 2-Chloro-3-oxo-succinic acid diethylester, Diethyl 2-chloro-3-oxobutane-1,4-dioate, AB0024310, DB-006046, ST2419235, TX-010797, D3635, FT-0080547, FT-0650896, W5555, A26274, S-1441, I14-8897, J-019432, J-520284, Butanedioic acid,2-chloro-3-oxo-, 1,4-diethyl ester, Diethyl2-chloro-3-oxosuccinate, ACN-049661, CID10998635, C3192, Diethyl 2-chlorooxalacetate, technical, 90% 1g, 3690-10-6,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.621g/mol
Monoisotopic Mass	222.03g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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