AG00ECOL

612833-45-1 | Ethyl 5-iodo-2-methylbenzoate

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CAS Number	612833-45-1
Catalog Number	AG00ECOL(AGN-PC-079S4Q)
Chemical Name	Ethyl 5-iodo-2-methylbenzoate
IUPAC Name	ethyl 5-iodo-2-methylbenzoate
InChI	InChI=1S/C10H11IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChI Key	KIXOYKIVPNXTDY-UHFFFAOYSA-N
MDL Number	MFCD11112849
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	IC=1C=CC(=C(C(=O)OCC)C1)C
Synonyms	ethyl 5-iodo-2-methylbenzoate, 612833-45-1, 5-iodo-2-methylbenzoic acid ethyl ester, SCHEMBL4149582, CTK8E2431, DTXSID80661133, KIXOYKIVPNXTDY-UHFFFAOYSA-N, ethyl 5-iodanyl-2-methyl-benzoate, 9172AB, MFCD11112849, ZINC39951603, AKOS015843500, AS02168, 2-Methyl-5-iodobenzoic acid ethyl ester, AS-42973, AJ-100692, DB-072928, TC-066910, FT-0654362, Benzoic acid, 5-iodo-2-methyl-, ethyl ester, J3.656.179C, A833144, I14-5611, Ethyl5-iodo-2-methylbenzoate, C10H11IO2,

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	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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