1,6-Dibromoisoquinolin-3-amine - CAS 925672-85-1
Catalog: |
BB062796 |
Product Name: |
1,6-Dibromoisoquinolin-3-amine |
CAS: |
925672-85-1 |
Synonyms: |
1,6-dibromoisoquinolin-3-amine; 1,6-Dibromo-3-isoquinolinamine; 1,6-Dibromoisoquinoline-3-amine; 3-Amino-1,6-dibromoisoquinoline; 3-Isoquinolinamine, 1,6-dibromo- |
IUPAC Name: | 1,6-dibromoisoquinolin-3-amine |
Description: | 1,6-Dibromoisoquinolin-3-amine |
Molecular Weight: | 301.97 |
Molecular Formula: | C9H6Br2N2 |
Canonical SMILES: | C1=CC2=C(N=C(C=C2C=C1Br)N)Br |
InChI: | InChI=1S/C9H6Br2N2/c10-6-1-2-7-5(3-6)4-8(12)13-9(7)11/h1-4H,(H2,12,13) |
InChI Key: | QWCRSSNILAZCCN-UHFFFAOYSA-N |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.88772 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.88977 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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