3-Chloro-5-(hydroxymethyl)benzonitrile - CAS 1021871-35-1
Catalog: |
BB000800 |
Product Name: |
3-Chloro-5-(hydroxymethyl)benzonitrile |
CAS: |
1021871-35-1 |
Synonyms: |
3-chloro-5-(hydroxymethyl)benzonitrile; 3-chloro-5-(hydroxymethyl)benzonitrile |
IUPAC Name: | 3-chloro-5-(hydroxymethyl)benzonitrile |
Description: | 3-Chloro-5-(hydroxymethyl)benzonitrile (CAS# 1021871-35-1) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=C(C=C(C=C1Cl)C#N)CO |
InChI: | InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2 |
InChI Key: | XNOWXYQLTYKTNC-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.70398 |
Publication Number | Title | Priority Date |
EP-3377491-A1 | Azaindole derivatives and their use as erk kinase inhibitors | 20151118 |
EP-3377491-B1 | Azaindole derivatives and their use as erk kinase inhibitors | 20151118 |
WO-2017085230-A1 | Azaindole derivatives and their use as erk kinase inhibitors | 20151118 |
US-2020283432-A1 | Zaindole derivatives and their use as erk kinase inhibitors | 20151118 |
US-10995089-B2 | Zaindole derivatives and their use as ERK kinase inhibitors | 20151118 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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