5-Bromo-3-methylbenzofuran - CAS 33118-85-3
Catalog: |
BB021562 |
Product Name: |
5-Bromo-3-methylbenzofuran |
CAS: |
33118-85-3 |
Synonyms: |
5-bromo-3-methylbenzofuran; 5-bromo-3-methyl-1-benzofuran |
IUPAC Name: | 5-bromo-3-methyl-1-benzofuran |
Description: | 5-Bromo-3-methylbenzofuran (CAS# 33118-85-3) is a useful research chemical. |
Molecular Weight: | 211.06 |
Molecular Formula: | C9H7BrO |
Canonical SMILES: | CC1=COC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C9H7BrO/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3 |
InChI Key: | MRQQUDYWELWUQO-UHFFFAOYSA-N |
Boiling Point: | 261.096 °C at 760 mmHg |
Density: | 1.521 g/cm3 |
LogP: | 3.50370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020160134-A1 | Acetamido derivatives as dna polymerase theta inhibitors | 20190130 |
AU-2017357488-A1 | Substituted quinoxaline derivatives as inhibitors of PFKFB | 20161108 |
CA-3042988-A1 | Substituted quinoxaline derivatives as inhibitors of pfkfb | 20161108 |
EP-3538518-A1 | Substituted quinoxaline derivatives as inhibitors of pfkfb | 20161108 |
JP-2019532998-A | Substituted quinoxaline derivatives as PFKFB inhibitors | 20161108 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.96803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 13.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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