AG002HCF

188813-07-2 | Benzoic acid, 3-​bromo-​5-​iodo-​, methyl ester

AG002HCF

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CAS Number	188813-07-2
Catalog Number	AG002HCF(AGN-PC-03I2AQ)
Chemical Name	Benzoic acid, 3-​bromo-​5-​iodo-​, methyl ester
EC Number	606-153-5
IUPAC Name	methyl 3-bromo-5-iodobenzoate
InChI	InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key	WUSQONUPNHFBOU-UHFFFAOYSA-N
MDL Number	MFCD00673016
Molecular Formula	C8H6BrIO2
Molecular Weight	340.9405
SMILES	C(=O)(OC)c1cc(Br)cc(c1)I
Synonyms	METHYL 3-BROMO-5-IODOBENZOATE, 188813-07-2, 3-bromo-5-iodobenzoic acid methyl ester, 3-BROMO-5-IODO-BENZOIC ACID METHYL ESTER, BENZOIC ACID, 3-BROMO-5-IODO-, METHYL ESTER, Benzoic acid,3-bromo-5-iodo-, methyl ester, Methyl3-bromo-5-iodobenzoate, SCHEMBL232476, methyl 5-bromo-3-iodobenzoate, methyl-3-bromo-5-iodobenzoate, methyl-5-bromo-3-iodobenzoate, Methyl 3-bromo-5-iodo-benzoate, CTK4D9926, KS-00000BTV, DTXSID40620509, WUSQONUPNHFBOU-UHFFFAOYSA-N, ZINC2568106, ANW-58818, MFCD00673016, methyl 3-bromanyl-5-iodanyl-benzoate, AKOS015912316, AS03635, CM-1637, CM12517, 3-bromo-5-iodo-benzoic acid methylester, AC-29060, AJ-41569, AK-61644, AS-19184, SC-39461, SY028460, TC-147563, CS-0044963, X5185, MFCD00673016 (95%), F10199, A813271, I14-35810, 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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