6-Bromo-8-quinolinemethanol - CAS 1266728-35-1

Catalog:	BB071221
Product Name:	6-Bromo-8-quinolinemethanol
CAS:	1266728-35-1
Synonyms:	(6-Bromoquinolin-8-yl)methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(6-bromoquinolin-8-yl)methanol
Molecular Weight:	238.08
Molecular Formula:	C10H8BrNO
Canonical SMILES:	C1=CC2=CC(=CC(=C2N=C1)CO)Br
InChI:	InChI=1S/C10H8BrNO/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13/h1-5,13H,6H2
InChI Key:	HBQPJPSNCZMFRH-UHFFFAOYSA-N
References:	Chih-Yu, C., et al. PCT Int. Appl., 82 (2011).

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(2R,5S,10aS,10bS)-Octahydro-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.97893
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2