7-Bromo-6-fluoro-1H-indole - CAS 1000339-62-7
Catalog: |
BB073958 |
Product Name: |
7-Bromo-6-fluoro-1H-indole |
CAS: |
1000339-62-7 |
Synonyms: |
7-bromo-6-fluoro-1H-indole; 7-Bromo-6-fluoroindole; 1h-indole,7-bromo-6-fluoro- |
IUPAC Name: | 7-bromo-6-fluoro-1H-indole |
Molecular Weight: | 214.03 |
Molecular Formula: | C8H5BrFN |
Canonical SMILES: | C1=CC(=C(C2=C1C=CN2)Br)F |
InChI: | InChI=1S/C8H5BrFN/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H |
InChI Key: | REKZBQHRHZATLM-UHFFFAOYSA-N |
References: | Andrez, J.C., et.al., PCT Int. Appl., 620, (2018). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95894 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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