AG0095ZI

1035235-10-9 | Methyl 4-(2-bromophenyl)-2,4-dioxobutanoate

AG0095ZI

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CAS Number	1035235-10-9
Catalog Number	AG0095ZI(AGN-PC-0WAIVD)
Chemical Name	Methyl 4-(2-bromophenyl)-2,4-dioxobutanoate
IUPAC Name	methyl 4-(2-bromophenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C11H9BrO4/c1-16-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChI Key	VKMVKAZSQQFHRS-UHFFFAOYSA-N
MDL Number	MFCD11188864
Molecular Formula	C11H9BrO4
Molecular Weight	285.0908
SMILES	O=C(OC)C(CC(C1=CC=CC=C1Br)=O)=O
Synonyms	methyl 4-(2-bromophenyl)-2,4-dioxobutanoate, 1035235-10-9, AK134959, EN300-51177, AC1Q41MJ, SCHEMBL3597973, CTK6I6950, DTXSID10655429, VKMVKAZSQQFHRS-UHFFFAOYSA-N, MFCD11188864, AKOS009266275, ZINC100085222, DS-4867, NE29835, SC-72505, AX8219119,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.968g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	285.093g/mol
Monoisotopic Mass	283.968g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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