4-[3-[(Allyloxy)methyl]phenyl]-2-chloropyrimidine - CAS 937273-29-5
Catalog: |
BB041048 |
Product Name: |
4-[3-[(Allyloxy)methyl]phenyl]-2-chloropyrimidine |
CAS: |
937273-29-5 |
Synonyms: |
2-chloro-4-[3-(prop-2-enoxymethyl)phenyl]pyrimidine; 2-chloro-4-[3-(prop-2-enoxymethyl)phenyl]pyrimidine |
IUPAC Name: | 2-chloro-4-[3-(prop-2-enoxymethyl)phenyl]pyrimidine |
Description: | 4-[3-[(Allyloxy)methyl]phenyl]-2-chloropyrimidine (CAS# 937273-29-5 ) is a useful research chemical. |
Molecular Weight: | 260.72 |
Molecular Formula: | C14H13ClN2O |
Canonical SMILES: | C=CCOCC1=CC=CC(=C1)C2=NC(=NC=C2)Cl |
InChI: | InChI=1S/C14H13ClN2O/c1-2-8-18-10-11-4-3-5-12(9-11)13-6-7-16-14(15)17-13/h2-7,9H,1,8,10H2 |
InChI Key: | SFLXQVPCWIHCJQ-UHFFFAOYSA-N |
LogP: | 3.49960 |
Publication Number | Title | Priority Date |
WO-2017196261-A1 | Jak and hdac dual-inhibitor compounds | 20160511 |
WO-2008140420-A2 | Pyrimidine derivatives | 20070515 |
EP-1951729-A1 | Oxygen linked pyrimidine derivatives | 20051116 |
EP-1951729-B1 | Oxygen linked pyrimidine derivatives | 20051116 |
US-2009075999-A1 | Oxygen linked pyrimidine derivatives | 20051116 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0716407 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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