6-chloro-1,2-benzoxazole-3-carboxylic acid - CAS 28691-49-8
Catalog: |
BB019910 |
Product Name: |
6-chloro-1,2-benzoxazole-3-carboxylic acid |
CAS: |
28691-49-8 |
Synonyms: |
6-chloro-1,2-benzoxazole-3-carboxylic acid; 6-chloro-1,2-benzoxazole-3-carboxylic acid |
IUPAC Name: | 6-chloro-1,2-benzoxazole-3-carboxylic acid |
Description: | 6-chloro-1,2-benzoxazole-3-carboxylic acid (CAS# 28691-49-8) is a useful research chemical. |
Molecular Weight: | 197.574 |
Molecular Formula: | C8H4ClNO3 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)ON=C2C(=O)O |
InChI: | InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12) |
InChI Key: | NWWICAZKQSVOGE-UHFFFAOYSA-N |
Boiling Point: | 411.923 °C at 760 mmHg |
Density: | 1.593 g/cm3 |
MDL: | MFCD09027540 |
LogP: | 2.17940 |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
KR-20210069080-A | monoacylglycerol lipase modulator | 20180928 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9879707 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9879707 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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