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3-(2-Bromophenyl)-1-propanol

3-(2-Bromophenyl)-1-propanol - CAS 52221-92-8

Catalog:	BB027748
Product Name:	3-(2-Bromophenyl)-1-propanol
CAS:	52221-92-8
Synonyms:	3-(2-bromophenyl)-1-propanol; 3-(2-bromophenyl)propan-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-bromophenyl)propan-1-ol
Description:	3-(2-Bromophenyl)-1-propanol (CAS# 52221-92-8) is a useful research chemical.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	C1=CC=C(C(=C1)CCCO)Br
InChI:	InChI=1S/C9H11BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChI Key:	VODAJGPTULSNSU-UHFFFAOYSA-N
Boiling Point:	294.972 °C at 760 mmHg
Density:	1.411 g/cm³
LogP:	2.37400

Publication Number	Title	Priority Date
EP-3275876-A1	Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof	20160726
US-10604469-B2	Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof	20160726
WO-2018019436-A1	Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof	20160726
US-2019152892-A1	Direct c-h amination and aza-annulation	20160711
WO-2018013540-A1	Direct c-h amination and aza-annulation	20160711

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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5