AG003Q3L

1208075-44-8 | Ethyl 2-Bromo-5-iodobenzoate

AG003Q3L

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CAS Number	1208075-44-8
Catalog Number	AG003Q3L(AGN-PC-08XZAD)
Chemical Name	Ethyl 2-Bromo-5-iodobenzoate
IUPAC Name	ethyl 2-bromo-5-iodobenzoate
InChI	InChI=1S/C9H8BrIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChI Key	AESBDCQWLOZBNY-UHFFFAOYSA-N
MDL Number	MFCD11520421
Molecular Formula	C9H8BrIO2
Molecular Weight	354.9671
SMILES	O=C(OCC)C1=CC(I)=CC=C1Br
Synonyms	Ethyl 2-Bromo-5-iodobenzoate, 1208075-44-8, SCHEMBL18094310, MFCD11520421, ZINC40571556, AKOS017562068, AS04500, CM12514, TRA0053158, CJ-20260, AJ-103701, CS-0061553,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	353.875g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	354.969g/mol
Monoisotopic Mass	353.875g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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