AG006GTI

933585-44-5 | Ethyl 2-iodo-5-methylbenzoate

AG006GTI

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CAS Number	933585-44-5
Catalog Number	AG006GTI(AGN-PC-0712VN)
Chemical Name	Ethyl 2-iodo-5-methylbenzoate
EC Number	618-928-5
IUPAC Name	ethyl 2-iodo-5-methylbenzoate
InChI	InChI=1S/C10H11IO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
InChI Key	SVWOPCVCIDLBEY-UHFFFAOYSA-N
MDL Number	MFCD09998719
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	C1(C=C(C)C=CC=1I)C(OCC)=O
Synonyms	Ethyl 2-iodo-5-methylbenzoate, 933585-44-5, SCHEMBL14048740, CTK5H2349, DTXSID00657013, MFCD09998719, ZINC28278541, AS02166, KS-00000T87, AK183937, DS-10019, Ethyl2-iodo-5-methylbenzoate,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.98g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.1g/mol
Monoisotopic Mass	289.98g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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