4-Chloro-3-methyl-2-pyridinemethanol 1-Oxide - CAS 1329793-61-4
Catalog: |
BB070017 |
Product Name: |
4-Chloro-3-methyl-2-pyridinemethanol 1-Oxide |
CAS: |
1329793-61-4 |
Synonyms: |
4-Chloro-2-(hydroxymethyl)-3-methylpyridine 1-Oxide |
IUPAC Name: | (4-chloro-3-methyl-1-oxidopyridin-1-ium-2-yl)methanol |
Description: | 4-Chloro-3-methyl-2-pyridinemethanol 1-Oxide (cas# 1329793-61-4) is a compound useful in organic synthesis. |
Molecular Weight: | 173.6 |
Molecular Formula: | C7H8ClNO2 |
Canonical SMILES: | CC1=C(C=C[N+](=C1CO)[O-])Cl |
InChI: | InChI=1S/C7H8ClNO2/c1-5-6(8)2-3-9(11)7(5)4-10/h2-3,10H,4H2,1H3 |
InChI Key: | OITWZOHDMBRBHT-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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