6-Chloroindole-3-carbaldehyde - CAS 703-82-2
Catalog: |
BB034145 |
Product Name: |
6-Chloroindole-3-carbaldehyde |
CAS: |
703-82-2 |
Synonyms: |
6-chloro-1H-indole-3-carboxaldehyde; 6-chloro-1H-indole-3-carbaldehyde |
IUPAC Name: | 6-chloro-1H-indole-3-carbaldehyde |
Description: | 6-Chloroindole-3-carbaldehyde (CAS# 703-82-2) is a useful research chemical. |
Molecular Weight: | 179.60 |
Molecular Formula: | C9H6ClNO |
Canonical SMILES: | C1=CC2=C(C=C1Cl)NC=C2C=O |
InChI: | InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H |
InChI Key: | CTNIXLBHXMSZKL-UHFFFAOYSA-N |
Boiling Point: | 373.4 °C at 760 mmHg |
Density: | 1.431 g/cm3 |
MDL: | MFCD06657152 |
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 |
CN-112661750-A | Ketene-bridged quinazolinone thiazole compound and preparation method and application thereof | 20201229 |
CN-106986859-B | Indole derivatives and uses thereof | 20160120 |
WO-2016144704-A2 | Heterocyclic autotaxin inhibitor compounds | 20150311 |
AU-2014373735-A1 | Therapeutic inhibitory compounds | 20131230 |
AU-2014373735-B2 | Therapeutic inhibitory compounds | 20131230 |
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: | 2.3 |
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