(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol - CAS 80418-13-9

Catalog:	BB036501
Product Name:	(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CAS:	80418-13-9
Synonyms:	(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethanol; (1S)-1-(4-bromophenyl)-2,2,2-trifluoroethanol

Technical Data

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Computed Properties

IUPAC Name:	(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethanol
Description:	(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol (CAS# 80418-13-9 ) is a useful research chemical.
Molecular Weight:	255.03
Molecular Formula:	C8H6BrF3O
Canonical SMILES:	C1=CC(=CC=C1C(C(F)(F)F)O)Br
InChI:	InChI=1S/C8H6BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m0/s1
InChI Key:	PHWPRSZULISLMK-ZETCQYMHSA-N
LogP:	3.04480

Publication Number	Title	Priority Date
CN-113462602-A	Corksaiella radicata ZJPH202011 and application thereof	20210709
CN-113462728-A	Method for preparing (R) -1- (4-bromophenyl) -2,2, 2-trifluoroethanol by using Verticillium terrestris	20210709
EP-3209296-A1	Ethyl n-boc piperidinyl pyrazolo pyridones as janus kinase inhibitors	20141022
EP-3209296-B1	Ethyl n-boc piperidinyl pyrazolo pyridones as janus kinase inhibitors	20141022
US-10072025-B2	Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors	20141022

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	253.95541
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.95541
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9