2-(4-Chloro-3-indolyl)acetic Acid - CAS 2519-61-1
Catalog: |
BB018796 |
Product Name: |
2-(4-Chloro-3-indolyl)acetic Acid |
CAS: |
2519-61-1 |
Synonyms: |
2-(4-chloro-1H-indol-3-yl)acetic acid; 2-(4-chloro-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(4-chloro-1H-indol-3-yl)acetic acid |
Description: | 5,6-Dichloroindole-3-acetic acid and 4-Chloroindole-3-acetic acid are potent candidates for new rooting promoters without estrogenic activity. Plant growth stimulators. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O |
InChI: | InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14) |
InChI Key: | WNCFBCKZRJDRKZ-UHFFFAOYSA-N |
Boiling Point: | 445.6 °C at 760 mmHg |
Melting Point: | 179 - 180 °C |
Density: | 1.483 g/cm3 |
Solubility: | 1456 mg/L at 25 °C (est) |
Appearance: | Solid |
LogP: | 2.44840 |
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 |
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PMID | Publication Date | Title | Journal |
22573801 | 20120701 | Biosynthesis of the halogenated auxin, 4-chloroindole-3-acetic acid | Plant physiology |
22345435 | 20120401 | A chemical biology approach reveals an opposite action between thermospermine and auxin in xylem development in Arabidopsis thaliana | Plant & cell physiology |
22301957 | 20120101 | Pollination: a key event controlling the expression of genes related to phytohormone biosynthesis during grapevine berry formation | Plant signaling & behavior |
21424219 | 20111101 | Fusicoccin counteracts the toxic effect of cadmium on the growth of maize coleoptile segments | Archives of environmental contamination and toxicology |
21543729 | 20110701 | AtMYB2 regulates whole plant senescence by inhibiting cytokinin-mediated branching at late stages of development in Arabidopsis | Plant physiology |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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