3-Bromo-1-nitronaphthalene - CAS 102153-47-9

Catalog:	BB000793
Product Name:	3-Bromo-1-nitronaphthalene
CAS:	102153-47-9
Synonyms:	3-bromo-1-nitronaphthalene; 3-bromo-1-nitronaphthalene

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-1-nitronaphthalene
Description:	3-Bromo-1-nitronaphthalene (CAS# 102153-47-9) is a useful research chemical.
Molecular Weight:	252.06
Molecular Formula:	C10H6BrNO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])Br
InChI:	InChI=1S/C10H6BrNO2/c11-8-5-7-3-1-2-4-9(7)10(6-8)12(13)14/h1-6H
InChI Key:	SYUKHFBRPMIOTK-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	4.03370

Publication Number	Title	Priority Date
WO-2021013978-A1	Targeted radiopharmaceuticals for the diagnosis and treatment of prostate cancer	20190725
EP-2998292-A1	Naphthyl sulfonamide derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders	20140916
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Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.95819
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7