AG00ABK2

172168-01-3 | 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

AG00ABK2

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CAS Number	172168-01-3
Catalog Number	AG00ABK2(AGN-PC-0QA1DO)
Chemical Name	3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
IUPAC Name	ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3
InChI Key	XYMHCPKOFUYEPU-UHFFFAOYSA-N
MDL Number	MFCD03424831
Molecular Formula	C11H10Cl2O3
Molecular Weight	261.1013
SMILES	O=C(OCC)CC(C1=CC(Cl)=CC(Cl)=C1)=O
Synonyms	ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate, 172168-01-3, 3-(3,5-Dichlorophenyl)-3-oxo-propionic acid ethyl ester, ethyl (3,5-dichlorobenzoyl)acetate, 3-(3,5-dichloro-phenyl)-3-oxo-propionic acid ethyl ester, AC1MBXKF, SCHEMBL2638020, CTK6F8211, DTXSID50374208, XYMHCPKOFUYEPU-UHFFFAOYSA-N, CS-M1358, KS-00000Q2F, ZINC2575929, 8852AA, ANW-52870, MFCD03424831, AKOS015999911, ACM172168013, AJ-42462, AK-94373, DS-17964, SC-40670, AX8231708, RT-019392, FT-0733998, ST24024877, Z-4951, J-010801, 3-(3,5-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL, 3-(3,5-DICHLOROPHENYL)-3-OXO-PROPIONIC ACID ETHYLESTER, C11H10Cl2O3, ZINC02575929, CID2758177, Ethyl3-(3,5-dichlorophenyl)-3-oxopropanoate,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.098g/mol
Monoisotopic Mass	260.001g/mol
Rotatable Bond Count	5
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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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