AG00DBEB

51885-91-7 | Methyl 4-ethyl-3-iodo-benzoate

AG00DBEB

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CAS Number	51885-91-7
Catalog Number	AG00DBEB(AGN-PC-0WADXR)
Chemical Name	Methyl 4-ethyl-3-iodo-benzoate
IUPAC Name	methyl 4-ethyl-3-iodobenzoate
InChI	InChI=1S/C10H11IO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3
InChI Key	JTKHZRNJWHCKFS-UHFFFAOYSA-N
MDL Number	MFCD11112907
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	O=C(OC)C1=CC=C(CC)C(I)=C1
Synonyms	methyl 4-ethyl-3-iodobenzoate, 51885-91-7, METHYL 4-ETHYL-3-IODO-BENZOATE, 4-Ethyl-3-iodo-benzoic acid methyl ester, Methyl 4-ethyl-3-iodbenzoate, CTK8E2414, KS-00000RJD, DTXSID20661056, methyl 4-ethyl-3-iodanyl-benzoate, MFCD11112907, ZINC39951739, AKOS015842931, DS-4713, 4-ethyl-3-iodobenzoic acid methyl ester, AK133686, AJ-100821, DB-071435, ST2407250, TC-067070, 4CH-016858, FT-0651731, A828826, I14-5524, Methyl4-ethyl-3-iodobenzoate, ACN-031331,

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	H227-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number