Methyl 4-(2-Chloro-4-pyrimidinyl)benzoate - CAS 1026029-33-3

Catalog:	BB000903
Product Name:	Methyl 4-(2-Chloro-4-pyrimidinyl)benzoate
CAS:	1026029-33-3
Synonyms:	4-(2-chloro-4-pyrimidinyl)benzoic acid methyl ester; methyl 4-(2-chloropyrimidin-4-yl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-(2-chloropyrimidin-4-yl)benzoate
Description:	Methyl 4-(2-Chloro-4-pyrimidinyl)benzoate (CAS# 1026029-33-3 ) is a useful research chemical.
Molecular Weight:	248.67
Molecular Formula:	C12H9ClN2O2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)Cl
InChI:	InChI=1S/C12H9ClN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-7-14-12(13)15-10/h2-7H,1H3
InChI Key:	COCUEUVOGCFSMB-UHFFFAOYSA-N
LogP:	2.58360

Publication Number	Title	Priority Date
WO-2020118683-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
ES-2618072-T3	N-Cyanomethylamides as Janus kinase inhibitors	20130807
EP-2949647-A1	Deuterated phenyl amino pyrimidine compound and pharmaceutical composition containing same	20130128
JP-2016515997-A	Deuterated phenylaminopyrimidine compound and drug composition containing the compound	20130128
JP-6524470-B2	Deuterated phenylamino pyrimidine compounds and drug compositions comprising the compounds	20130128

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.0352552
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7