o-Tolyloxyacetonitrile - CAS 50635-21-7
Catalog: |
BB027154 |
Product Name: |
o-Tolyloxyacetonitrile |
CAS: |
50635-21-7 |
Synonyms: |
2-(2-methylphenoxy)acetonitrile; 2-(2-methylphenoxy)acetonitrile |
IUPAC Name: | 2-(2-methylphenoxy)acetonitrile |
Description: | o-Tolyloxyacetonitrile (CAS# 50635-21-7) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC1=CC=CC=C1OCC#N |
InChI: | InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,7H2,1H3 |
InChI Key: | PLUADOZOKWWDIF-UHFFFAOYSA-N |
MDL: | MFCD00184705 |
LogP: | 1.89738 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2017166582-A1 | Pyrazole acc inhibitors and uses thereof | 20151125 |
US-2017166583-A1 | Ester acc inhibitors and uses thereof | 20151125 |
US-2017166584-A1 | Triazole acc inhibitors and uses thereof | 20151125 |
US-2013071415-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | 20100528 |
US-2012149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | 20090827 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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