| CAS Number | 17118-70-6 |
| Catalog Number | AG00AN1U(AGN-PC-0Q9VZE) |
| Chemical Name | 3-oxo-2-phenylprop-2-enoyl chloride |
| IUPAC Name | 3-oxo-2-phenylprop-2-enoyl chloride |
| InChI | InChI=1S/C9H5ClO2/c10-9(12)8(6-11)7-4-2-1-3-5-7/h1-5H |
| InChI Key | ZEHCNHDIBSTCCY-UHFFFAOYSA-N |
| MDL Number | MFCD00015801 |
| Molecular Formula | C9H5ClO2 |
| Molecular Weight | 180.5878 |
| SMILES | ClC(C(C1=CC=CC=C1)=C=O)=O |
| Synonyms | 3-oxo-2-phenylprop-2-enoyl chloride,
17118-70-6,
Phenyl(chloroformyl)ketene,
chlorocarbonyl phenyl ketene,
phenyl chlorocarbonyl ketene,
SCHEMBL9343793,
CTK4D3846,
DTXSID10444653,
ZEHCNHDIBSTCCY-UHFFFAOYSA-N,
alpha-carbonyl-phenylacetyl chloride,
Benzeneacetyl chloride, a-carbonyl-,
2-Phenyl-3-oxoacrylic acid chloride,
3-oxo-2-phenyl-prop-2-enoyl Chloride,
CID10773734,
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| Complexity | 223 |
| Compound Is Canonicalized | No |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.587g/mol |
| Monoisotopic Mass | 179.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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