2-Bromohypoxanthine - CAS 87781-93-9

Catalog:	BB038630
Product Name:	2-Bromohypoxanthine
CAS:	87781-93-9
Synonyms:	2-bromo-1,7-dihydropurin-6-one

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1,7-dihydropurin-6-one
Description:	2-Bromohypoxanthine (CAS# 87781-93-9 ) is a useful research chemical.
Molecular Weight:	215.01
Molecular Formula:	C5H3BrN4O
Canonical SMILES:	C1=NC2=C(N1)C(=O)NC(=N2)Br
InChI:	InChI=1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChI Key:	ONXCBJOMYNPZNI-UHFFFAOYSA-N
Boiling Point:	536.7 °C at 760 mmHg
Density:	2.54 g/cm³
MDL:	MFCD03093927
LogP:	0.40870

Publication Number	Title	Priority Date
CN-111961667-A	Modified fluorescent probe and application thereof	20201023
CN-111961667-B	Modified fluorescent probe and application thereof	20201023
WO-2021055849-A1	Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents	20190919
US-2017355708-A1	Potassium channel modulators	20160609
AU-2017203617-A1	Method and composition for managing dag on hair	20160601

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.94902
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	213.94902
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6