6-Fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic Acid - CAS 907211-31-8
Catalog: |
BB056152 |
Product Name: |
6-Fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic Acid |
CAS: |
907211-31-8 |
Synonyms: |
6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLIC ACID; 6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLICACID |
IUPAC Name: | 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid |
Molecular Weight: | 233.24 |
Molecular Formula: | C13H12FNO2 |
Canonical SMILES: | C1CC2=C(CC1C(=O)O)C3=C(N2)C=CC(=C3)F |
InChI: | InChI=1S/C13H12FNO2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h2,4,6-7,15H,1,3,5H2,(H,16,17) |
InChI Key: | FAWQZNACUZJAJY-UHFFFAOYSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.08520679 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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