2-Bromo-3-methoxybenzonitrile - CAS 1261816-95-8
Catalog: |
BB006530 |
Product Name: |
2-Bromo-3-methoxybenzonitrile |
CAS: |
1261816-95-8 |
Synonyms: |
2-bromo-3-methoxybenzonitrile; 2-bromo-3-methoxybenzonitrile |
IUPAC Name: | 2-bromo-3-methoxybenzonitrile |
Description: | 2-Bromo-3-methoxybenzonitrile (CAS# 1261816-95-8) is a useful research chemical. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | COC1=CC=CC(=C1Br)C#N |
InChI: | InChI=1S/C8H6BrNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3 |
InChI Key: | FQKUIMZTAJYITH-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.32938 |
Publication Number | Title | Priority Date |
CN-112939872-A | Spirofluorene compound, material containing spirofluorene compound and organic electroluminescent device | 20210201 |
CN-109843858-A | Certain chemical entities, composition and method | 20160815 |
CN-109476699-A | Glucocorticoid receptor agonist and its immune conjugate | 20160602 |
CN-104910073-A | Diaryl-azepin-5-one compound synthesis method | 20150525 |
CN-105829305-B | NRF2 regulator | 20131218 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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