4-Amino-3-chloropicolinic Acid Methyl Ester - CAS 1391052-60-0
Catalog: |
BB061337 |
Product Name: |
4-Amino-3-chloropicolinic Acid Methyl Ester |
CAS: |
1391052-60-0 |
Synonyms: |
Methyl 4-Amino-3-chloropicolinate; 4-Amino-3-chloro-2-pyridinecarboxylic Acid Methyl Ester |
IUPAC Name: | methyl 4-amino-3-chloropyridine-2-carboxylate |
Description: | The methyl ester of a disubstituted picolininc acid. |
Molecular Weight: | 186.6 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=NC=CC(=C1Cl)N |
InChI: | InChI=1S/C7H7ClN2O2/c1-12-7(11)6-5(8)4(9)2-3-10-6/h2-3H,1H3,(H2,9,10) |
InChI Key: | OEYBXFXRHKGKML-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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