6-Methylbenzoxazole - CAS 10531-80-3
Catalog: |
BB001608 |
Product Name: |
6-Methylbenzoxazole |
CAS: |
10531-80-3 |
Synonyms: |
6-methyl-1,3-benzoxazole; 6-methyl-1,3-benzoxazole |
IUPAC Name: | 6-methyl-1,3-benzoxazole |
Description: | 6-Methylbenzoxazole (CAS# 10531-80-3) is a useful research chemical. |
Molecular Weight: | 133.15 |
Molecular Formula: | C8H7NO |
Canonical SMILES: | CC1=CC2=C(C=C1)N=CO2 |
InChI: | InChI=1S/C8H7NO/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3 |
InChI Key: | SZWNDAUMBWLYOQ-UHFFFAOYSA-N |
Boiling Point: | 206.5 ℃ at 760 mmHg |
Density: | 1.149 g/cm3 |
MDL: | MFCD00216937 |
LogP: | 2.13620 |
Publication Number | Title | Priority Date |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021113690-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021113698-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021101854-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
CN-110078642-A | F-22 is in the application as the source C1 in synthesis amidine compound | 20190530 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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