Methyl 4-bromoquinoline-6-carboxylate - CAS 219763-85-6
Catalog: |
BB017235 |
Product Name: |
Methyl 4-bromoquinoline-6-carboxylate |
CAS: |
219763-85-6 |
Synonyms: |
methyl 4-bromoquinoline-6-carboxylate |
IUPAC Name: | methyl 4-bromoquinoline-6-carboxylate |
Description: | Methyl 4-bromoquinoline-6-carboxylate (CAS# 219763-85-6 ) is a useful research chemical. |
Molecular Weight: | 266.09 |
Molecular Formula: | C11H8BrNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=CN=C2C=C1)Br |
InChI: | InChI=1S/C11H8BrNO2/c1-15-11(14)7-2-3-10-8(6-7)9(12)4-5-13-10/h2-6H,1H3 |
InChI Key: | ROTWWLOBDCESBP-UHFFFAOYSA-N |
Boiling Point: | 368.669 °C at 760 mmHg |
Density: | 1.557 g/cm3 |
LogP: | 2.78390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019115586-A1 | Oxalamides as modulators of indoleamine 2,3-dioxygenase | 20171212 |
EP-3724177-A1 | Oxalamides as modulators of indoleamine 2,3-dioxygenase | 20171212 |
US-2020352931-A1 | Oxalamides as modulators of indoleamine 2,3-dioxygenase | 20171212 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Quinoline/Isoquinoline
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