2-Bromo-1-chloro-4-nitrobenzene - CAS 16588-26-4

Catalog:	BB012228
Product Name:	2-Bromo-1-chloro-4-nitrobenzene
CAS:	16588-26-4
Synonyms:	2-bromo-1-chloro-4-nitrobenzene; 2-bromo-1-chloro-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-1-chloro-4-nitrobenzene
Description:	2-Bromo-1-chloro-4-nitrobenzene (CAS# 16588-26-4) is a useful research chemical.
Molecular Weight:	236.45
Molecular Formula:	C6H3BrClNO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)Cl
InChI:	InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChI Key:	CGTVUAQWGSZCFH-UHFFFAOYSA-N
Boiling Point:	287.2 °C at 760 mmHg
Density:	1.827 g/cm³
MDL:	MFCD00100437
LogP:	3.53390

Publication Number	Title	Priority Date
WO-2020127846-A1	Condensed pyrroles as novel bromodomain inhibitors	20181221
EP-3898587-A1	Condensed pyrroles as novel bromodomain inhibitors	20181221
WO-2020127846-A9	Condensed pyrroles as novel bromodomain inhibitors	20181221
TW-201934546-A	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
WO-2019154177-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.90357
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.90357
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2