AG002Q0M

249647-24-3 | Benzoic acid, 3-bromo-4-iodo-, methyl ester

AG002Q0M

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CAS Number	249647-24-3
Catalog Number	AG002Q0M(AGN-PC-01LQV1)
Chemical Name	Benzoic acid, 3-bromo-4-iodo-, methyl ester
IUPAC Name	methyl 3-bromo-4-iodobenzoate
InChI	InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key	OIMBMPVAESWCEA-UHFFFAOYSA-N
MDL Number	MFCD01687885
Molecular Formula	C8H6BrIO2
Molecular Weight	340.9405
SMILES	COC(=O)C1=CC(Br)=C(I)C=C1
Synonyms	methyl 3-bromo-4-iodobenzoate, 249647-24-3, 3-Bromo-4-iodobenzoic acid methyl ester, 3-Bromo-4-iodo-benzoic acid methyl ester, Benzoic acid, 3-bromo-4-iodo-, methyl ester, Intermediates-ZCF02670, SCHEMBL544486, CTK4F4717, KS-00000NIF, DTXSID60590174, OIMBMPVAESWCEA-UHFFFAOYSA-N, BCP20954, 1936AB, ANW-63527, MFCD07778512, ZINC15042973, AKOS005215968, Methyl 3-bromo-4-iodobenzoate, 97%, AS03634, CM12516, CS-W014281, LS11500, QC-9850, TRA0045321, AJ-67178, AK-80259, AM803579, AT-35942, BC005214, BC658830, CJ-15080, DS-15897, EN002029, FS003005, SC-25314, SY029061, AB0058350, DB-011597, TC-152272, 4CH-000246, Benzoic acid,3-bromo-4-iodo-, methyl ester, FT-0714378, ST24047809, MFCD07778512 (95%), A23084, I01-4011, J-015751, C8H6BrIO2,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.86g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	340.942g/mol
Monoisotopic Mass	339.86g/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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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