AG002489

1829-28-3 | Benzoic acid, 2-iodo-, ethyl ester

AG002489

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CAS Number	1829-28-3
Catalog Number	AG002489(AGN-PC-0KLTYT)
Chemical Name	Benzoic acid, 2-iodo-, ethyl ester
EC Number	605-985-6
IUPAC Name	ethyl 2-iodobenzoate
InChI	InChI=1S/C9H9IO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChI Key	QOUFDDUDXYJWHV-UHFFFAOYSA-N
MDL Number	MFCD00051796
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
SMILES	O=C(OCC)C1=CC=CC=C1I
Synonyms	Ethyl 2-iodobenzoate, 1829-28-3, 2-iodobenzoic acid ethyl ester, QOUFDDUDXYJWHV-UHFFFAOYSA-N, Benzoic acid, 2-iodo-, ethyl ester, MFCD00051796, rarechem al bi 0562, ethyl iodobenzoate, ethyl-2-iodobenzoate, ethyl 2-iodanylbenzoate, AC1MD1CL, ETHYL2-IODOBENZOATE, ACMC-1AG98, 2-(Ethoxycarbonyl)iodobenzene, SCHEMBL995737, CTK4D8356, DTXSID70385235, ACT08377, Benzoic acid, 2-iodo-,ethyl ester, KS-00000V2A, ZINC2510130, ANW-44045, AKOS008948276, AS02160, GS-3530, RP17609, AJ-36383, AK-94262, DB-001025, TR-008433, CS-0085183, E1273, FT-0612667, ST24030522, Y-9619, A812732, J-520762, I01-15471, 2-iodoethyl benzoate, Benzoic Acid 2-Iodoethyl Ester, 2-Iodo-benzoic acid ethyl ester, ZINC02510130, CID2829347, 39252-69-2,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number