5-Bromo-3-nitrobenzene-1,2-diamine - CAS 84752-20-5

Catalog:	BB037289
Product Name:	5-Bromo-3-nitrobenzene-1,2-diamine
CAS:	84752-20-5
Synonyms:	5-bromo-3-nitrobenzene-1,2-diamine; 5-bromo-3-nitrobenzene-1,2-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-3-nitrobenzene-1,2-diamine
Description:	5-Bromo-3-nitrobenzene-1,2-diamine (CAS# 84752-20-5) is a useful research chemical compound.
Molecular Weight:	232.03
Molecular Formula:	C6H6BrN3O2
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])N)N)Br
InChI:	InChI=1S/C6H6BrN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
InChI Key:	FBPCXPVYWUQREV-UHFFFAOYSA-N
LogP:	3.20730

Publication Number	Title	Priority Date
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
TW-201927792-A	Compounds and compositions as bromodomain protein inhibitors	20171220
WO-2019120234-A2	Compound functioning as bromodomain protein inhibitor, and composition	20171220
AU-2018391833-A1	Compound functioning as bromodomain protein inhibitor, and composition	20171220
BR-112020012527-A2	compound that works as a protein inhibitor with bromodomain, and composition	20171220

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.96434
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	230.96434
Rotatable Bond Count:	0
Topological Polar Surface Area:	97.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2