(S)-1-(2-Chlorophenyl)-1,2-ethanediol - CAS 133082-13-0

Catalog:	BB007691
Product Name:	(S)-1-(2-Chlorophenyl)-1,2-ethanediol
CAS:	133082-13-0
Synonyms:	(1S)-1-(2-chlorophenyl)ethane-1,2-diol; (1S)-1-(2-chlorophenyl)ethane-1,2-diol

Technical Data

Patents

Computed Properties

IUPAC Name:	(1S)-1-(2-chlorophenyl)ethane-1,2-diol
Description:	(S)-1-(2-Chlorophenyl)-1,2-ethanediol (CAS# 133082-13-0) is a useful research chemical.
Molecular Weight:	172.61
Molecular Formula:	C8H9ClO2
Canonical SMILES:	C1=CC=C(C(=C1)C(CO)O)Cl
InChI:	InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
InChI Key:	YGOPULMDEZVJGI-MRVPVSSYSA-N
Boiling Point:	293 °C (lit.)
Density:	1.328 g/cm³
Appearance:	White to beige crystals and/or chunks
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD01863241
LogP:	1.36570

Publication Number	Title	Priority Date
US-2016097063-A1	Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis	20130522
US-2016023999-A1	Phenyl alkyl carbamate compounds for use in preventing or treating epilepsy or epilepsy-related syndrome	20130312
US-9504668-B2	Phenyl alkyl carbamate compounds for use in preventing or treating epilepsy or epilepsy-related syndrome	20130312
WO-2014142519-A1	Phenyl alkyl carbamate compounds for use in preventing or treating epilepsy or epilepsy-related syndrome	20130312
EP-2968211-B1	Phenyl alkyl carbamate compounds for use in preventing or treating epilepsy or epilepsy-related syndrome	20130312

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Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0291072
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.0291072
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1