| CAS Number | 28317-96-6 |
| Catalog Number | AG00CEP0(AGN-PC-0JLMLO) |
| Chemical Name | 3-Phenoxypropanoyl chloride |
| EC Number | 248-961-7 |
| IUPAC Name | 3-phenoxypropanoyl chloride |
| InChI | InChI=1S/C9H9ClO2/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | SBSYFELXUYBRND-UHFFFAOYSA-N |
| MDL Number | MFCD11169653 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | ClC(CCOC1=CC=CC=C1)=O |
| Synonyms | 3-Phenoxypropionyl chloride,
3-phenoxypropanoyl chloride,
28317-96-6,
Phenoxypropionyl chloride,
Propanoyl chloride,3-phenoxy-,
EINECS 248-961-7,
AC1L3PQZ,
AC1Q3GB1,
SCHEMBL1308374,
Propanoyl chloride, 3-phenoxy-,
CTK4G1235,
DTXSID50182562,
SBSYFELXUYBRND-UHFFFAOYSA-N,
ZINC6115971,
C9-H9-Cl-O2,
AR-1F4914,
CID119923,
29199-09-5,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number