1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile - CAS 75097-56-2
Catalog: |
BB035245 |
Product Name: |
1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile |
CAS: |
75097-56-2 |
Synonyms: |
1-(5-bromo-2-methoxyphenyl)-1-cyclopentanecarbonitrile; 1-(5-bromo-2-methoxyphenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(5-bromo-2-methoxyphenyl)cyclopentane-1-carbonitrile |
Description: | 1-(5-Bromo-2-methoxyphenyl)cyclopentanecarbonitrile (CAS# 75097-56-2 ) is a useful research chemical. |
Molecular Weight: | 280.16 |
Molecular Formula: | C13H14BrNO |
Canonical SMILES: | COC1=C(C=C(C=C1)Br)C2(CCCC2)C#N |
InChI: | InChI=1S/C13H14BrNO/c1-16-12-5-4-10(14)8-11(12)13(9-15)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3 |
InChI Key: | JAFYXLCESIEQIC-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-0007719-A2 | Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives | 19780729 |
US-4263037-A | 5-Cyano-2,3-dihydrobenzofurans useful as herbicides | 19780729 |
US-4333759-A | Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones | 19780729 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.02588 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.02588 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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