CHEMBL171834

Iupac Name：ethyl 3-oxo-3-phenylpropanoate

CAS No.: 94-02-0

Molecular Weight：192.214

Modify Date.: 2022-02-11 09:02

1. Names and Identifiers

1.1 Name: CHEMBL171834
1.2 Synonyms: 4-(2-chlorophenyl)-5-methylthiazol-2-amine 4-(2-chloro-phenyl)-5-methyl-thiazol-2-ylamine 4-(2-chlorophenyl)-5-methylthiazol-2-ylamine AKOS022336397 mfcd16483253 ZINC28018854

1.6 Inchi: InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

2. Properties

3. Safety and Handling

4. MSDS

Not classified.

none

5. Computational chemical data

Molecular Weight: 192.214g/mol
Molecular Formula: C_₁₃H_₁₄ClNO_₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 192.078644241
Monoisotopic Mass: 192.078644241
Complexity: 205
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 43.4
Heavy Atom Count: 14
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyCIAABACIAqDSCAACAAAkAAAIiAEAAMgIIDaIFRCCIQAkoAAIiYeIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

Recently Updated : 201218-10-2 2109760-01-0 1029912-90-0 151265-37-1 1208109-55-0 2095551-20-3 2769953-37-7 157321-59-0 784157-49-9 106084-79-1