| CAS Number | 36293-05-7 |
| Catalog Number | AG01A8PI(AGN-PC-0RBZBR) |
| Chemical Name | 2-methyl-2-phenylpropanoyl chloride |
| IUPAC Name | 2-methyl-2-phenylpropanoyl chloride |
| InChI | InChI=1S/C10H11ClO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChI Key | XSKYEGXKYATCRE-UHFFFAOYSA-N |
| MDL Number | MFCD09903682 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CC(C(=O)Cl)(C)C1=CC=CC=C1 |
| Synonyms | 2-methyl-2-phenylpropanoyl chloride,
36293-05-7,
2-Methyl-2-phenyl-propionyl chloride,
Benzeneacetyl chloride, alpha,alpha-dimethyl-,
a-Phenylisobutyryl chloride,
AC1Q1LI9,
SCHEMBL343135,
DTXSID50494718,
XSKYEGXKYATCRE-UHFFFAOYSA-N,
2-Methyl-2-phenylpropionyl Chloride,
ZINC11833287,
2-methyl-2-phenyl propanoyl chloride,
FS-3959,
NE52624,
EN300-62249,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.647g/mol |
| Monoisotopic Mass | 182.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number