7-Chloro-2-(chloromethyl)benzoxazole - CAS 116044-87-2
Catalog: |
BB003698 |
Product Name: |
7-Chloro-2-(chloromethyl)benzoxazole |
CAS: |
116044-87-2 |
Synonyms: |
7-chloro-2-(chloromethyl)-1,3-benzoxazole; 7-chloro-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 7-chloro-2-(chloromethyl)-1,3-benzoxazole |
Description: | 7-Chloro-2-(chloromethyl)benzoxazole (CAS# 116044-87-2) is a useful research chemical. |
Molecular Weight: | 202.04 |
Molecular Formula: | C8H5Cl2NO |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)OC(=N2)CCl |
InChI: | InChI=1S/C8H5Cl2NO/c9-4-7-11-6-3-1-2-5(10)8(6)12-7/h1-3H,4H2 |
InChI Key: | CBGNQFKWYGLPHN-UHFFFAOYSA-N |
LogP: | 3.22000 |
Publication Number | Title | Priority Date |
US-2007021442-A1 | HIV reverse transcriptase inhibitors | 20050722 |
US-7807684-B2 | HIV reverse transcriptase inhibitors | 20050722 |
WO-2007015809-A2 | Hiv reverse transcriptase inhibitors | 20050722 |
CA-2044828-A1 | Inhibitors of hiv reverse transcriptase | 19900618 |
EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | 19900618 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9748192 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Benzoxazole/Benzothiazole
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