3-(2-Chloro-4-pyrimidinyl)benzyl Alcohol - CAS 859517-90-1

Catalog:	BB037775
Product Name:	3-(2-Chloro-4-pyrimidinyl)benzyl Alcohol
CAS:	859517-90-1
Synonyms:	[3-(2-chloro-4-pyrimidinyl)phenyl]methanol; [3-(2-chloropyrimidin-4-yl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[3-(2-chloropyrimidin-4-yl)phenyl]methanol
Description:	3-(2-Chloro-4-pyrimidinyl)benzyl Alcohol (CAS# 859517-90-1 ) is a useful research chemical.
Molecular Weight:	220.65
Molecular Formula:	C11H9ClN2O
Canonical SMILES:	C1=CC(=CC(=C1)CO)C2=NC(=NC=C2)Cl
InChI:	InChI=1S/C11H9ClN2O/c12-11-13-5-4-10(14-11)9-3-1-2-8(6-9)7-15/h1-6,15H,7H2
InChI Key:	OKUZPLMHADFIMS-UHFFFAOYSA-N
LogP:	2.28930

Publication Number	Title	Priority Date
CN-102757448-A	Macrocyclic kinase inhibitor compound, preparation method and application thereof as drug	20110426
AU-2009224804-A1	4-aryl-2-anilino-pyrimidines as PLK kinase inhibitors	20080310
AU-2009224804-B2	4-aryl-2-anilino-pyrimidines as PLK kinase inhibitors	20080310
CA-2716079-A1	4-aryl-2-anilino-pyrimidines as plk kinase inhibitors	20080310
EP-2283024-A1	4-aryl-2-anilino-pyrimidines as plk kinase inhibitors	20080310

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Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0403406
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.0403406
Rotatable Bond Count:	2
Topological Polar Surface Area:	46
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9