3-(6-Chloro-3-indolyl)propanoic Acid - CAS 1018612-14-0
Catalog: |
BB000679 |
Product Name: |
3-(6-Chloro-3-indolyl)propanoic Acid |
CAS: |
1018612-14-0 |
Synonyms: |
3-(6-chloro-1H-indol-3-yl)propanoic acid; 3-(6-chloro-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(6-chloro-1H-indol-3-yl)propanoic acid |
Description: | 3-(6-Chloro-3-indolyl)propanoic Acid (CAS# 1018612-14-0 ) is a useful research chemical. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)NC=C2CCC(=O)O |
InChI: | InChI=1S/C11H10ClNO2/c12-8-2-3-9-7(1-4-11(14)15)6-13-10(9)5-8/h2-3,5-6,13H,1,4H2,(H,14,15) |
InChI Key: | VFRNTOBLPJQBET-UHFFFAOYSA-N |
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-3038618-A1 | Substituted indole mcl-1 inhibitors | 20130828 |
US-10005728-B2 | Substituted indole Mcl-1 inhibitors | 20130828 |
US-2016214934-A1 | Substituted indole mcl-1 inhibitors | 20130828 |
US-2018258039-A1 | Substituted indole mcl-1 inhibitors | 20130828 |
WO-2015031608-A1 | Substituted indole mcl-1 inhibitors | 20130828 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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