AG00233M

181765-85-5 | Benzoic acid, 4-chloro-2-iodo-, methyl ester

AG00233M

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CAS Number	181765-85-5
Catalog Number	AG00233M(AGN-PC-0NIP8D)
Chemical Name	Benzoic acid, 4-chloro-2-iodo-, methyl ester
IUPAC Name	methyl 4-chloro-2-iodobenzoate
InChI	InChI=1S/C8H6ClIO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChI Key	SPEFZJXZNVTFJX-UHFFFAOYSA-N
MDL Number	MFCD12024993
Molecular Formula	C8H6ClIO2
Molecular Weight	296.4895
SMILES	O=C(OC)C1=CC=C(Cl)C=C1I
Synonyms	Methyl 4-chloro-2-iodobenzoate, 181765-85-5, Benzoic acid, 4-chloro-2-iodo-, methyl ester, 4-Chloro-2-iodo-benzoic acid methyl ester, SCHEMBL1197244, KS-00000TEM, SPEFZJXZNVTFJX-UHFFFAOYSA-N, MFCD12024993, ZINC39212528, AKOS027252476, AS02930, 2-Iodo-4-chlorobenzoic acid methyl ester, AK201245, AS-19733, DA-09030, SC-51617, AB0038713, CS-0041112, FT-0768332, Y6099, Z-9043, C8H6ClIO2,

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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