2-Bromo-5-iodoanisole - CAS 755027-18-0

Catalog:	BB035343
Product Name:	2-Bromo-5-iodoanisole
CAS:	755027-18-0
Synonyms:	1-bromo-4-iodo-2-methoxybenzene; 1-bromo-4-iodo-2-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-iodo-2-methoxybenzene
Description:	2-Bromo-5-iodoanisole (CAS# 755027-18-0) is a useful research chemical.
Molecular Weight:	312.93
Molecular Formula:	C7H6BrIO
Canonical SMILES:	COC1=C(C=CC(=C1)I)Br
InChI:	InChI=1S/C7H6BrIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChI Key:	PIPWNWZBTWYPJB-UHFFFAOYSA-N
Boiling Point:	293.7 °C at 760 mmHg
Density:	2.062 g/cm³
MDL:	MFCD07780651
LogP:	3.06230

Publication Number	Title	Priority Date
WO-2021155320-A1	Compounds and uses thereof	20200129
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
US-2021115065-A1	Compounds and compositions for the treatment of parasitic diseases	20191021
WO-2021078120-A1	Compounds and compositions for the treatment of parasitic diseases	20191021
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606

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Halides

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.86467
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.86467
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2