1-(4-Bromophenyl)-4-chloro-1-butanone - CAS 4559-96-0
Catalog: |
BB025943 |
Product Name: |
1-(4-Bromophenyl)-4-chloro-1-butanone |
CAS: |
4559-96-0 |
Synonyms: |
1-(4-bromophenyl)-4-chloro-1-butanone; 1-(4-bromophenyl)-4-chlorobutan-1-one |
IUPAC Name: | 1-(4-bromophenyl)-4-chlorobutan-1-one |
Description: | 1-(4-Bromophenyl)-4-chloro-1-butanone (CAS# 4559-96-0) is a useful research chemical. |
Molecular Weight: | 261.54 |
Molecular Formula: | C10H10BrClO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCCCl)Br |
InChI: | InChI=1S/C10H10BrClO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2 |
InChI Key: | WJKPUMBLABGUCQ-UHFFFAOYSA-N |
Boiling Point: | 352.8 °C at 760 mmHg |
Density: | 1.44 g/cm3 |
Appearance: | Solid |
LogP: | 3.65080 |
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-2020247475-A1 | Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer | 20190605 |
WO-2020219448-A1 | Naphthyridine derivatives as prc2 inhibitors | 20190422 |
WO-2019152419-A1 | Prc2 inhibitors | 20180131 |
CN-112004816-A | PRC2 inhibitors | 20180131 |
EP-3746446-A1 | Prc2 inhibitors | 20180131 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.96036 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.96036 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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