AG00ICGU

74073-22-6 | Butanoic acid, 2-​[(2,​3-​dichlorophenyl)​methylene]​-​3-​oxo-​, methyl ester

AG00ICGU

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CAS Number	74073-22-6
Catalog Number	AG00ICGU(AGN-PC-00G0T3)
Chemical Name	Butanoic acid, 2-​[(2,​3-​dichlorophenyl)​methylene]​-​3-​oxo-​, methyl ester
EC Number	616-044-4
IUPAC Name	methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate
InChI	InChI=1S/C12H10Cl2O3/c1-7(15)9(12(16)17-2)6-8-4-3-5-10(13)11(8)14/h3-6H,1-2H3/b9-6+
InChI Key	QQXPSPWWWCQBFM-RMKNXTFCSA-N
MDL Number	MFCD00800930
Molecular Formula	C12H10Cl2O3
Molecular Weight	273.1120
SMILES	C(=C(C(=O)OC)C(=O)C)c1c(Cl)c(Cl)ccc1
Synonyms	74073-22-6, Methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate, Methyl 2-(2,3-dichlorobenzylidine)acetoacetate, Methyl-2-(2,3-dichlorbenzyliden)acetoacetate, AK114575, Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate, PubChem23374, Methyl2-(2,3-dichlorobenzylidine)acetoacetate, SCHEMBL10387257, DTXSID10473827, EBD1031, BCP10397, AN-859, MFCD00800930, ZINC22308808, AKOS016010250, AC-5619, DS-3810, AJ-81358, CJ-17371, AX8139754, ST2413244, A9515, V1659, 073M226, (E)-methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate, 2-(2,3-Dichlorobenzylidene)acetoacetic acid methyl ester, methyl (2E)-2-[(2,3-dichlorophenyl)methylene]-3-oxo-butanoate, Methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate, 2-[(2,3-Dichlorophenyl)methylene]-3-oxobutanoic acid methyl ester; (E)-methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate, Methyl2- acetoacetate, 2,3-dichlorobenzylideneacetoacetate, C12H10Cl2O3, ACN-028872, CID11821770, 2-[(2,3-Dichlorophenyl)methylene]-3-oxobutanoic Acid Methyl Ester, Methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxo-butanoate, Butanoic acid, 2-[(2,3-dichlorophenyl)methylene]-3-oxo-, methyl ester, 68064-69-7,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	272.001g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.109g/mol
Monoisotopic Mass	272.001g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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