| CAS Number | 52085-96-8 |
| Catalog Number | AG00DNGM(AGN-PC-0SBZEN) |
| Chemical Name | 4-Chlorobenzenepropanoyl chloride |
| IUPAC Name | 3-(4-chlorophenyl)propanoyl chloride |
| InChI | InChI=1S/C9H8Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2 |
| InChI Key | VGNRGOGIWXMVLI-UHFFFAOYSA-N |
| MDL Number | MFCD08460401 |
| Molecular Formula | C9H8Cl2O |
| Molecular Weight | 203.0652 |
| SMILES | ClC(CCC1=CC=C(Cl)C=C1)=O |
| Synonyms | 52085-96-8,
3-(4-chlorophenyl)propanoyl chloride,
Benzenepropanoyl chloride, 4-chloro-,
3-(4-Chloro-phenyl)-propionyl chloride,
SCHEMBL1154480,
VGNRGOGIWXMVLI-UHFFFAOYSA-N,
ZINC33433000,
3-(4-chlorophenyl)propionyl chloride,
3-(4-chlorophenyl) propionyl chloride,
3-(4-Chlorophenyl)-propionyl chloride,
NE58116,
beta-(4-Chlorophenyl)propionyl chloride,
3-(4-chlorophenyl)propionic acid chloride,
ACN-042157,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.062g/mol |
| Monoisotopic Mass | 201.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number