2-Chloro-3-fluorobenzyl Bromide - CAS 874285-19-5
Catalog: |
BB038444 |
Product Name: |
2-Chloro-3-fluorobenzyl Bromide |
CAS: |
874285-19-5 |
Synonyms: |
1-(bromomethyl)-2-chloro-3-fluorobenzene; 1-(bromomethyl)-2-chloro-3-fluorobenzene |
IUPAC Name: | 1-(bromomethyl)-2-chloro-3-fluorobenzene |
Description: | 2-Chloro-3-fluorobenzyl Bromide (CAS# 874285-19-5) is a reagent used as an integrase strand-transfer inhibitor. |
Molecular Weight: | 223.47 |
Molecular Formula: | C7H5BrClF |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Cl)CBr |
InChI: | InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2 |
InChI Key: | AQQPRCFCKCXWGZ-UHFFFAOYSA-N |
Boiling Point: | 227.1 °C at 760 mmHg |
Density: | 1.654 g/cm3 |
MDL: | MFCD09038462 |
LogP: | 3.37400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019196953-A1 | Ntcp inhibitors | 20180413 |
EP-3765482-A1 | Ntcp inhibitors | 20180413 |
JP-2019006759-A | Method for producing aromatic compound | 20170626 |
AU-2018251087-A1 | Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof | 20170410 |
AU-2018251758-A1 | Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.92472 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.92472 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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