4-Bromo-1-chloro-6-nitro-isoquinoline - CAS 1369199-81-4
Catalog: |
BB072305 |
Product Name: |
4-Bromo-1-chloro-6-nitro-isoquinoline |
CAS: |
1369199-81-4 |
Synonyms: |
4-Bromo-1-chloro-6-nitroisoquinoline; 4-Bromo-1-chloro-6-nitro-isoquinoline; isoquinoline,4-bromo-1-chloro-6-nitro- |
IUPAC Name: | 4-bromo-1-chloro-6-nitroisoquinoline |
Molecular Weight: | 287.5 |
Molecular Formula: | C9H4BrClN2O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN=C2Cl)Br |
InChI: | InChI=1S/C9H4BrClN2O2/c10-8-4-12-9(11)6-2-1-5(13(14)15)3-7(6)8/h1-4H |
InChI Key: | XITPXUHGYLYZLX-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.91447 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.91447 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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