2-Chloro-5,6-dimethyl-4-methoxy Nicotinic Acid Methyl Ester - CAS 1329833-74-0
Catalog: |
BB070139 |
Product Name: |
2-Chloro-5,6-dimethyl-4-methoxy Nicotinic Acid Methyl Ester |
CAS: |
1329833-74-0 |
Synonyms: |
2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester; Methyl 2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylate |
IUPAC Name: | methyl 2-chloro-4-methoxy-5,6-dimethylpyridine-3-carboxylate |
Description: | Omeprazole Acid intermediate. |
Molecular Weight: | 229.66 |
Molecular Formula: | C10H12ClNO3 |
Canonical SMILES: | CC1=C(N=C(C(=C1OC)C(=O)OC)Cl)C |
InChI: | InChI=1S/C10H12ClNO3/c1-5-6(2)12-9(11)7(8(5)14-3)10(13)15-4/h1-4H3 |
InChI Key: | DKEGJYCVRWYPGT-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Low-Melting Solid to Yellow Oil |
Storage: | Refrigerator |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0505709 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0505709 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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