AG002X0Y

289039-82-3 | Benzoic acid, 5-chloro-2-iodo-, methyl ester

AG002X0Y

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CAS Number	289039-82-3
Catalog Number	AG002X0Y(AGN-PC-044DWG)
Chemical Name	Benzoic acid, 5-chloro-2-iodo-, methyl ester
EC Number	608-285-9
IUPAC Name	methyl 5-chloro-2-iodobenzoate
InChI	InChI=1S/C8H6ClIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key	LNCNRPALSKTJBG-UHFFFAOYSA-N
MDL Number	MFCD00144772
Molecular Formula	C8H6ClIO2
Molecular Weight	296.4895
SMILES	COC(=O)c1cc(Cl)ccc1I
Synonyms	METHYL 5-CHLORO-2-IODOBENZOATE, 289039-82-3, Benzoic acid, 5-chloro-2-iodo-, methyl ester, 5-Chloro-2-iodobenzoic acid methyl ester, methyl5-chloro-2-iodobenzoate, SCHEMBL6420613, CTK4G2381, KS-00000TBG, DTXSID70634639, LNCNRPALSKTJBG-UHFFFAOYSA-N, ZINC2516935, MFCD00144772, AKOS026672091, AM90256, AS02931, QC-4528, AK194044, DS-10411, SC-51619, TX-017745, CS-0030377, Benzoic acid,5-chloro-2-iodo-, methyl ester, ACN-054202,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.91g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.488g/mol
Monoisotopic Mass	295.91g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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