2-Chloro-1-(7-ethyl-1H-indol-3-yl)ethan-1-one - CAS 571153-20-3
Catalog: |
BB069899 |
Product Name: |
2-Chloro-1-(7-ethyl-1H-indol-3-yl)ethan-1-one |
CAS: |
571153-20-3 |
Synonyms: |
2-Chloro-1-(7-ethyl-1H-indol-3-yl)ethanone |
IUPAC Name: | 2-chloro-1-(7-ethyl-1H-indol-3-yl)ethanone |
Description: | 2-Chloro-1-(7-ethyl-1H-indol-3-yl)ethan-1-one is a useful research chemical used in the development of potent inhibitors for strigolactone receptor DWARF 14. |
Molecular Weight: | 221.68 |
Molecular Formula: | C12H12NOCl |
Canonical SMILES: | CCC1=C2C(=CC=C1)C(=CN2)C(=O)CCl |
InChI: | InChI=1S/C12H12ClNO/c1-2-8-4-3-5-9-10(11(15)6-13)7-14-12(8)9/h3-5,7,14H,2,6H2,1H3 |
InChI Key: | NZRAUEOTKUVXJS-UHFFFAOYSA-N |
References: | Yoshimura, M., et al. Chem. Commun. 56, 94, 14917-919, (2020). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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