2,6-Dichloro-4-pyrimidinepropanoic Acid - CAS 212650-39-0

Catalog:	BB016736
Product Name:	2,6-Dichloro-4-pyrimidinepropanoic Acid
CAS:	212650-39-0
Synonyms:	3-(2,6-dichloro-4-pyrimidinyl)propanoic acid; 3-(2,6-dichloropyrimidin-4-yl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(2,6-dichloropyrimidin-4-yl)propanoic acid
Description:	2,6-Dichloro-4-pyrimidinepropanoic Acid (CAS# 212650-39-0) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C7H6Cl2N2O2
Canonical SMILES:	C1=C(N=C(N=C1Cl)Cl)CCC(=O)O
InChI:	InChI=1S/C7H6Cl2N2O2/c8-5-3-4(1-2-6(12)13)10-7(9)11-5/h3H,1-2H2,(H,12,13)
InChI Key:	JNJOJPVJDFNUNZ-UHFFFAOYSA-N
LogP:	1.80060

Publication Number	Title	Priority Date
CZ-296799-A3	N-heterocyclic derivatives functioning as NOS inhibitors	19980219
AU-732969-B2	(N)-heterocyclic derivatives as NOS inhibitors	19970219
CA-2281545-C	N-heterocyclic derivatives as nos inhibitors	19970219
CZ-2008628-A3	N-Heterocyclic Derivatives as NOS Inhibitors	19970219
DE-69836422-T2	N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS	19970219

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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.9806328
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.9806328
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9