AG002X0V

289039-85-6 | Benzoic acid, 3-chloro-5-iodo-, methyl ester

AG002X0V

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CAS Number	289039-85-6
Catalog Number	AG002X0V(AGN-PC-04PZYR)
Chemical Name	Benzoic acid, 3-chloro-5-iodo-, methyl ester
EC Number	608-288-5
IUPAC Name	methyl 3-chloro-5-iodobenzoate
InChI	InChI=1S/C8H6ClIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key	ZDSIXLJPASGHDW-UHFFFAOYSA-N
MDL Number	MFCD00673018
Molecular Formula	C8H6ClIO2
Molecular Weight	296.4895
SMILES	O=C(OC)C1=CC(I)=CC(Cl)=C1
Synonyms	Methyl 3-chloro-5-iodobenzoate, 289039-85-6, MFCD00673018, 3-CHLORO-5-IODOBENZOIC ACID METHYL ESTER, ACMC-20akhf, methyl 5-chloro-3-iodobenzoate, SCHEMBL1438241, CTK3J4842, DTXSID90641027, ZDSIXLJPASGHDW-UHFFFAOYSA-N, ZINC2568108, AKOS016013768, AS02929, MCULE-4973627408, AC-25759, AJ-41571, PS-11667, 3-chloro-5-iodo-benzoic acid methyl ester, RT-002212, ST51040097, Benzoic acid, 3-chloro-5-iodo-, methyl ester, K-7114, J-017323, I14-98976,

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	3.1

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