| CAS Number | 41717-60-6 |
| Catalog Number | AG00D6W5 |
| Chemical Name | 2-phenoxybutanoyl chloride |
| EC Number | 255-513-4 |
| IUPAC Name | 2-phenoxybutanoyl chloride |
| InChI | InChI=1S/C10H11ClO2/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChI Key | CMWPBGIBHBCVSW-UHFFFAOYSA-N |
| MDL Number | MFCD00051569 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CCC(C(Cl)=O)OC1=CC=CC=C1 |
| Synonyms | 2-phenoxybutanoyl chloride,
2-Phenoxybutyryl chloride,
41717-60-6,
EINECS 255-513-4,
AC1MJ3CA,
SCHEMBL2884339,
CTK1D8228,
(+)-2-Phenoxy-butanoyl chloride,
CMWPBGIBHBCVSW-UHFFFAOYSA-N,
SBB079099,
AKOS006273804,
NE25724,
J-500036,
Butanoyl chloride, 2-phenoxy-,
C10-H11-Cl-O2,
CID3084838,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number