3-Bromo-5-iodobenzaldehyde - CAS 188813-09-4

Catalog:	BB014555
Product Name:	3-Bromo-5-iodobenzaldehyde
CAS:	188813-09-4
Synonyms:	3-bromo-5-iodobenzaldehyde; 3-bromo-5-iodobenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-5-iodobenzaldehyde
Description:	3-Bromo-5-iodobenzaldehyde (CAS# 188813-09-4 ) is a useful research chemical.
Molecular Weight:	310.91
Molecular Formula:	C7H4BrIO
Canonical SMILES:	C1=C(C=C(C=C1Br)I)C=O
InChI:	InChI=1S/C7H4BrIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChI Key:	XZXJUWDREBPKRI-UHFFFAOYSA-N
Boiling Point:	318.433 °C at 760 mmHg
Density:	2.231 g/cm³
LogP:	2.86620

Publication Number	Title	Priority Date
US-2021130303-A1	Ras inhibitors	20191104
WO-2021091982-A1	Ras inhibitors	20191104
AU-2018355709-A1	Novel macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same	20171025
CA-3080116-A1	Macrocyclic derivatives, their preparation process and the pharmaceutical compositions containing them	20171025
TW-201922754-A	Novel macrocyclic compound, preparation method thereof and pharmaceutical composition containing same	20171025

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.84902
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.84902
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7