AG0036IU

74530-56-6 | tert-Butyl 4-chloro-3-oxobutanoate

AG0036IU

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CAS Number	74530-56-6
Catalog Number	AG0036IU(AGN-PC-0KK0BH)
Chemical Name	tert-Butyl 4-chloro-3-oxobutanoate
EC Number	277-910-1
IUPAC Name	tert-butyl 4-chloro-3-oxobutanoate
InChI	InChI=1S/C8H13ClO3/c1-8(2,3)12-7(11)4-6(10)5-9/h4-5H2,1-3H3
InChI Key	DVOUIKQENBFPRS-UHFFFAOYSA-N
MDL Number	MFCD00052188
Molecular Formula	C8H13ClO3
Molecular Weight	192.6400
SMILES	ClCC(CC(=O)OC(C)(C)C)=O
Synonyms	74530-56-6, tert-Butyl-4-chloro-3-oxobutanoate, tert-butyl 4-chloro-3-oxobutanoate, Butanoic acid,4-chloro-3-oxo-, 1,1-dimethylethyl ester, tert-Butyl 4-chloro-3-oxobutyrate, tert-butyl 4-chloroacetoacetate, EINECS 277-910-1, AC1MC52W, t-butyl 4-chloroacetoacetate, t-butyl-4-chloroacetoacetate, SCHEMBL5604487, CTK5E0019, t-butyl 4-chloro-3-oxobutanoate, tert.-butyl 4-chloroacetoacetate, DVOUIKQENBFPRS-UHFFFAOYSA-N, KS-000002FW, ZINC6661605, tert.-butyl 4-chloro-3-oxobutyrate, MFCD00052188, AKOS006274345, AC-13976, AS-44356, SC-53581, 4-Chloro-3-oxobutyric acid tert-butyl ester, 4-Chloro-3-oxo-butanoic acid 1,1-dimethylethyl ester, C8-H13-Cl-O3, ZINC06661605, CID2724514, Butanoic acid, 4-chloro-3-oxo-, 1,1-dimethylethyl ester,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.639g/mol
Monoisotopic Mass	192.055g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number