3-Bromo-5-fluorobenzyl Alcohol - CAS 216755-56-5
Catalog: |
BB017068 |
Product Name: |
3-Bromo-5-fluorobenzyl Alcohol |
CAS: |
216755-56-5 |
Synonyms: |
(3-bromo-5-fluorophenyl)methanol; (3-bromo-5-fluorophenyl)methanol |
IUPAC Name: | (3-bromo-5-fluorophenyl)methanol |
Description: | 3-Bromo-5-fluorobenzyl Alcohol (CAS# 216755-56-5) is a useful research chemical. |
Molecular Weight: | 205.02 |
Molecular Formula: | C7H6BrFO |
Canonical SMILES: | C1=C(C=C(C=C1F)Br)CO |
InChI: | InChI=1S/C7H6BrFO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2 |
InChI Key: | KQWBQTOZXPPFIY-UHFFFAOYSA-N |
Boiling Point: | 259 °C at 760 mmHg |
Density: | 1.658 g/cm3 |
LogP: | 2.08050 |
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 |
JP-2019034932-A | Drugs containing an azole substituted pyridine compound as an active ingredient | 20170810 |
EP-3645537-A1 | Tdo2 and ido1 inhibitors | 20170628 |
US-2020216456-A1 | TDO2 and IDO1 Inhibitors | 20170628 |
WO-2019006047-A1 | INHIBITORS OF TDO2 AND IDO1 | 20170628 |
AU-2017393297-A1 | Integrin antagonists | 20161229 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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