2-Bromo-5-methoxybenzonitrile - CAS 138642-47-4
Catalog: |
BB008820 |
Product Name: |
2-Bromo-5-methoxybenzonitrile |
CAS: |
138642-47-4 |
Synonyms: |
2-bromo-5-methoxybenzonitrile |
IUPAC Name: | 2-bromo-5-methoxybenzonitrile |
Description: | 2-Bromo-5-methoxybenzonitrile (CAS# 138642-47-4) is a useful research chemical. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)C#N |
InChI: | InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3 |
InChI Key: | ZQONVYONOASKIY-UHFFFAOYSA-N |
Boiling Point: | 292.774 °C at 760 mmHg |
Density: | 1.563 g/cm3 |
Appearance: | White to tan solid, powder, crystals, and/or chunks |
MDL: | MFCD01861260 |
LogP: | 2.32938 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3750897-A1 | Organic electroluminescent materials and devices | 20190610 |
CN-111825508-A | Preparation method of dihydro 9-phenanthrene amine compound and chiral product prepared by same | 20190415 |
WO-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 20180613 |
TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 20180613 |
CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 20180613 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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