5-Bromo-1,2,3,4-tetrahydrocarbazole - CAS 78863-98-6
Catalog: |
BB071927 |
Product Name: |
5-Bromo-1,2,3,4-tetrahydrocarbazole |
CAS: |
78863-98-6 |
Synonyms: |
5-Bromo-2,3,4,9-tetrahydro-1H-carbazole; 5-bromo-1,2,3,4-tetrahydrocarbazole |
IUPAC Name: | 5-bromo-2,3,4,9-tetrahydro-1H-carbazole |
Molecular Weight: | 250.13 |
Molecular Formula: | C12H12BrN |
Canonical SMILES: | C1CCC2=C(C1)C3=C(N2)C=CC=C3Br |
InChI: | InChI=1S/C12H12BrN/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h3,5,7,14H,1-2,4,6H2 |
InChI Key: | ZOMBRBLFIFOTGG-UHFFFAOYSA-N |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.01531 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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