Methyl 2-Chlorobenzoxazole-4-carboxylate - CAS 1007112-35-7
Catalog: |
BB000308 |
Product Name: |
Methyl 2-Chlorobenzoxazole-4-carboxylate |
CAS: |
1007112-35-7 |
Synonyms: |
2-chloro-1,3-benzoxazole-4-carboxylic acid methyl ester; methyl 2-chloro-1,3-benzoxazole-4-carboxylate |
IUPAC Name: | methyl 2-chloro-1,3-benzoxazole-4-carboxylate |
Description: | Methyl 2-Chlorobenzoxazole-4-carboxylate (CAS# 1007112-35-7) is a useful research chemical. |
Molecular Weight: | 211.60 |
Molecular Formula: | C9H6ClNO3 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)OC(=N2)Cl |
InChI: | InChI=1S/C9H6ClNO3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3 |
InChI Key: | QXOMDXKTDOJUPP-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.26780 |
Publication Number | Title | Priority Date |
AU-2007281678-A1 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | 20060807 |
AU-2007281678-B2 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | 20060807 |
CA-2660349-A1 | 2-aminobenzoxazole carboxamides as 5ht3 modulators | 20060807 |
EP-2061460-A2 | 2-aminobenzoxazole carboxamides as 5ht3 modulators | 20060807 |
IL-196949-A | Carboxamides 2-aminobenzoxazole and medicinal products containing them | 20060807 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0036207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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