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Methyl 4-(2,5-Dichloro-4-pyrimidinyl)benzoate

Methyl 4-(2,5-Dichloro-4-pyrimidinyl)benzoate - CAS 663611-49-2

Catalog:	BB033006
Product Name:	Methyl 4-(2,5-Dichloro-4-pyrimidinyl)benzoate
CAS:	663611-49-2
Synonyms:	4-(2,5-dichloro-4-pyrimidinyl)benzoic acid methyl ester; methyl 4-(2,5-dichloropyrimidin-4-yl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(2,5-dichloropyrimidin-4-yl)benzoate
Description:	Methyl 4-(2,5-Dichloro-4-pyrimidinyl)benzoate (CAS# 663611-49-2 ) is a useful research chemical.
Molecular Weight:	283.11
Molecular Formula:	C12H8Cl2N2O2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2Cl)Cl
InChI:	InChI=1S/C12H8Cl2N2O2/c1-18-11(17)8-4-2-7(3-5-8)10-9(13)6-15-12(14)16-10/h2-6H,1H3
InChI Key:	DZBSNQZZBQKBBN-UHFFFAOYSA-N
LogP:	3.23700

Publication Number	Title	Priority Date
WO-2020118683-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
TW-202039474-A	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
CN-113227074-A	Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods	20181214
EP-3877381-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214

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Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.9962829
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.9962829
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3