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 |
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 |
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 |
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