5-Bromo-4-fluoro-1H-indole - CAS 344790-96-1
Catalog: |
BB022153 |
Product Name: |
5-Bromo-4-fluoro-1H-indole |
CAS: |
344790-96-1 |
Synonyms: |
5-bromo-4-fluoro-1H-indole; 5-bromo-4-fluoro-1H-indole |
IUPAC Name: | 5-bromo-4-fluoro-1H-indole |
Description: | 5-Bromo-4-fluoro-1H-indole (CAS# 344790-96-1) is a useful research chemical. |
Molecular Weight: | 214.03 |
Molecular Formula: | C8H5BrFN |
Canonical SMILES: | C1=CC(=C(C2=C1NC=C2)F)Br |
InChI: | InChI=1S/C8H5BrFN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H |
InChI Key: | OBGNVOLKFFCMAM-UHFFFAOYSA-N |
LogP: | 3.06950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019099336-A1 | Substituted indole compounds | 20171114 |
CN-111448190-A | Substituted indole compounds | 20171114 |
EP-3710440-A1 | Substituted indole compounds | 20171114 |
KR-20200086709-A | Substituted indole compounds | 20171114 |
JP-2021503004-A | Substituted indole compound | 20171114 |
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: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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