1,5,7-trichloroisoquinoline - CAS 1420794-66-6
Catalog: |
BB009291 |
Product Name: |
1,5,7-trichloroisoquinoline |
CAS: |
1420794-66-6 |
Synonyms: |
1,5,7-trichloroisoquinoline; 1,5,7-trichloroisoquinoline |
IUPAC Name: | 1,5,7-trichloroisoquinoline |
Description: | 1,5,7-trichloroisoquinoline (CAS# 1420794-66-6 ) is a useful research chemical. |
Molecular Weight: | 232.488 |
Molecular Formula: | C9H4Cl3N |
Canonical SMILES: | C1=CN=C(C2=CC(=CC(=C21)Cl)Cl)Cl |
InChI: | InChI=1S/C9H4Cl3N/c10-5-3-7-6(8(11)4-5)1-2-13-9(7)12/h1-4H |
InChI Key: | XBYDBAMDAVQRCX-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.940932 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.940932 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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