4-Chloroindole-3-carbaldehyde - CAS 876-72-2
Catalog: |
BB038587 |
Product Name: |
4-Chloroindole-3-carbaldehyde |
CAS: |
876-72-2 |
Synonyms: |
4-chloro-1H-indole-3-carboxaldehyde; 4-chloro-1H-indole-3-carbaldehyde |
IUPAC Name: | 4-chloro-1H-indole-3-carbaldehyde |
Description: | 4-Chloroindole-3-carbaldehyde (CAS# 876-72-2) is a useful research chemical. |
Molecular Weight: | 179.60 |
Molecular Formula: | C9H6ClNO |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=CN2)C=O |
InChI: | InChI=1S/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H |
InChI Key: | MSYJFNQAVTYKOP-UHFFFAOYSA-N |
Boiling Point: | 373.4 °C at 760 mmHg |
Density: | 1.431 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05864704 |
LogP: | 2.63380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3596089-A1 | Antibacterial compounds | 20170316 |
US-2020199118-A1 | Antibacterial compounds | 20170316 |
WO-2018167506-A1 | Antibacterial compounds | 20170316 |
WO-2016044777-A1 | Hat inhibitors and methods for their use | 20140918 |
AU-2015223742-A1 | Pyrazole amide derivative | 20140228 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS