2-(Chloromethyl)-7-methylbenzoxazole - CAS 139549-26-1
Catalog: |
BB008957 |
Product Name: |
2-(Chloromethyl)-7-methylbenzoxazole |
CAS: |
139549-26-1 |
Synonyms: |
2-(chloromethyl)-7-methyl-1,3-benzoxazole; 2-(chloromethyl)-7-methyl-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-7-methyl-1,3-benzoxazole |
Description: | 2-(Chloromethyl)-7-methylbenzoxazole (CAS# 139549-26-1 ) is a useful research chemical. |
Molecular Weight: | 181.62 |
Molecular Formula: | C9H8ClNO |
Canonical SMILES: | CC1=C2C(=CC=C1)N=C(O2)CCl |
InChI: | InChI=1S/C9H8ClNO/c1-6-3-2-4-7-9(6)12-8(5-10)11-7/h2-4H,5H2,1H3 |
InChI Key: | SLMSHQHLRHCEER-UHFFFAOYSA-N |
LogP: | 2.87500 |
Publication Number | Title | Priority Date |
CA-2044828-A1 | Inhibitors of hiv reverse transcriptase | 19900618 |
EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | 19900618 |
EP-0462800-A3 | Inhibitors of hiv reverse transcriptase | 19900618 |
IE-912064-A1 | Inhibitors of hiv reverse transcriptase | 19900618 |
PT-98003-A | Process for the preparation of new pyridinones inhibiting HIV reverse transcriptase | 19900618 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Benzoxazole/Benzothiazole
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