5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride - CAS 1427454-12-3
Catalog: |
BB069282 |
Product Name: |
5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride |
CAS: |
1427454-12-3 |
Synonyms: |
5-Chloro-2-(chloromethyl)pyrimidine hydrochloride; 5-Chloro-2-(chloromethyl)pyrimidine HCl; 5-chloro-2-(chloromethyl)pyrimidine; hydrochloride; 2-Chloromethyl-5-chloropyrimidine hydrochloride |
IUPAC Name: | 5-chloro-2-(chloromethyl)pyrimidinehydrochloride |
Description: | 5-Chloro-2-(chloromethyl)pyrimidine Hydrochloride (cas# 1427454-12-3) is a useful research chemical. It is the chlorine salt of 5-Chloro-2-(chloromethyl)pyrimidine (C364325) which is used as a reagent in the synthesis of fused benzoxazepinones as ion channel modulators. |
Molecular Weight: | 163 + (36.46) |
Molecular Formula: | C5H4N2Cl2·HCl |
Canonical SMILES: | C1=C(C=NC(=N1)CCl)Cl.Cl |
InChI: | InChI=1S/C5H4Cl2N2.ClH/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H21H |
InChI Key: | MZEDEZDHLRCCOW-UHFFFAOYSA-N |
References: | Corkey, B.K., et al. PCT Int. Appl. WO 2013006485 A1 20130110. Jan 10, 2013. |
Complexity: | 81 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.951831 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.951831 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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