(R)-1-(3-Chlorophenyl)-1,2-ethanediol - CAS 80051-04-3

Catalog:	BB036461
Product Name:	(R)-1-(3-Chlorophenyl)-1,2-ethanediol
CAS:	80051-04-3
Synonyms:	(1R)-1-(3-chlorophenyl)ethane-1,2-diol; (1R)-1-(3-chlorophenyl)ethane-1,2-diol

Technical Data

Patents

Computed Properties

IUPAC Name:	(1R)-1-(3-chlorophenyl)ethane-1,2-diol
Description:	(R)-1-(3-Chlorophenyl)-1,2-ethanediol (CAS# 80051-04-3 ) is a useful research chemical.
Molecular Weight:	172.61
Molecular Formula:	C8H9ClO2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C(CO)O
InChI:	InChI=1S/C8H9ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChI Key:	WLWZAZBRGPMXCW-QMMMGPOBSA-N
Boiling Point:	319.998 °C at 760 mmHg
Density:	1.328 g/cm³
LogP:	1.36570

Publication Number	Title	Priority Date
WO-2019223632-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20180522
AU-2019272303-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20180522
CN-112638917-A	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compounds, and methods of use thereof	20180522
EP-3797109-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20180522
KR-20210013145-A	Heterocyclic compounds as kinase inhibitors, compositions containing heterocyclic compounds, and methods of using the same	20180522

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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