2-Chloro-4-methoxybenzonitrile - CAS 127666-99-3
Catalog: |
BB006821 |
Product Name: |
2-Chloro-4-methoxybenzonitrile |
CAS: |
127666-99-3 |
Synonyms: |
2-chloro-4-methoxybenzonitrile; 2-chloro-4-methoxybenzonitrile |
IUPAC Name: | 2-chloro-4-methoxybenzonitrile |
Description: | 2-Chloro-4-methoxybenzonitrile (CAS# 127666-99-3) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | COC1=CC(=C(C=C1)C#N)Cl |
InChI: | InChI=1S/C8H6ClNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3 |
InChI Key: | YLKLNODUMSCTIV-UHFFFAOYSA-N |
Boiling Point: | 296.6 ℃ at 760 mmHg |
Density: | 1.25 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00156133 |
LogP: | 2.22028 |
Publication Number | Title | Priority Date |
WO-2020106751-A1 | Inhinitors of gli1 as therapeutic agents | 20181119 |
CN-113316577-A | GLi1 inhibitors as therapeutic agents | 20181119 |
EP-3883932-A1 | Inhibitors of gli1 as therapeutic agents | 20181119 |
KR-20210105899-A | GLi 1 inhibitors as therapeutics | 20181119 |
WO-2018071606-A1 | Compounds and methods for the targeted degradation of androgen receptor | 20161011 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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