1-(2-Chloro-3,4-dihydroxyphenyl)ethan-1-one - CAS 56961-48-9
Catalog: |
BB069781 |
Product Name: |
1-(2-Chloro-3,4-dihydroxyphenyl)ethan-1-one |
CAS: |
56961-48-9 |
Synonyms: |
1-(2-Chloro-3,4-dihydroxyphenyl)ethanone |
IUPAC Name: | 1-(2-chloro-3,4-dihydroxyphenyl)ethanone |
Description: | 1-(2-Chloro-3,4-dihydroxyphenyl)ethan-1-one is a useful research chemical used as a substrate competitive inhibitor of IGF-1 receptor kinase. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7O3Cl |
Canonical SMILES: | CC(=O)C1=C(C(=C(C=C1)O)O)Cl |
InChI: | InChI=1S/C8H7ClO3/c1-4(10)5-2-3-6(11)8(12)7(5)9/h2-3,11-12H,1H3 |
InChI Key: | UCTUWXMZPHRXHF-UHFFFAOYSA-N |
References: | Blum, G., et al. Biochemistry, 39, 51, 15705-712, (2000). |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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