5-Chloro-2-(chloromethyl)-7-nitrobenzoxazole - CAS 1822784-31-5
Catalog: |
BB013903 |
Product Name: |
5-Chloro-2-(chloromethyl)-7-nitrobenzoxazole |
CAS: |
1822784-31-5 |
Synonyms: |
5-chloro-2-(chloromethyl)-7-nitro-1,3-benzoxazole; 5-chloro-2-(chloromethyl)-7-nitro-1,3-benzoxazole |
IUPAC Name: | 5-chloro-2-(chloromethyl)-7-nitro-1,3-benzoxazole |
Description: | 5-Chloro-2-(chloromethyl)-7-nitrobenzoxazole (CAS# 1822784-31-5 ) is a useful research chemical. |
Molecular Weight: | 247.03 |
Molecular Formula: | C8H4Cl2N2O3 |
Canonical SMILES: | C1=C(C=C2C(=C1[N+](=O)[O-])OC(=N2)CCl)Cl |
InChI: | InChI=1S/C8H4Cl2N2O3/c9-3-7-11-5-1-4(10)2-6(12(13)14)8(5)15-7/h1-2H,3H2 |
InChI Key: | WBCHIYVFBIFEBR-UHFFFAOYSA-N |
LogP: | 3.65140 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.9598974 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.9598974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Benzoxazole/Benzothiazole
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