AG0095PM

1208318-08-4 | Ethyl 7-(4-bromophenyl)-4,7-dioxoheptanoate

AG0095PM

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CAS Number	1208318-08-4
Catalog Number	AG0095PM(AGN-PC-0WAMTG)
Chemical Name	Ethyl 7-(4-bromophenyl)-4,7-dioxoheptanoate
IUPAC Name	ethyl 7-(4-bromophenyl)-4,7-dioxoheptanoate
InChI	InChI=1S/C15H17BrO4/c1-2-20-15(19)10-8-13(17)7-9-14(18)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3
InChI Key	VGGJLBJOBCTBJD-UHFFFAOYSA-N
MDL Number	MFCD19441370
Molecular Formula	C15H17BrO4
Molecular Weight	341.1971
SMILES	O=C(OCC)CCC(CCC(C1=CC=C(Br)C=C1)=O)=O
Synonyms	Ethyl 7-(4-bromophenyl)-4,7-dioxoheptanoate, 1208318-08-4, SCHEMBL1818434, DTXSID30729070, VGGJLBJOBCTBJD-UHFFFAOYSA-N, MFCD19441370, ZINC85210691, AKOS016009717, DS-6434, AK114287, AJ-126755, AX8220953, CS-0061621, ST24047146, X5674, C15H17BrO4,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.031g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	341.201g/mol
Monoisotopic Mass	340.031g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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