| CAS Number | 52629-44-4 |
| Catalog Number | AG00DGWN(AGN-PC-03XUCN) |
| Chemical Name | 2-(4-Isopropylphenyl)acetyl chloride |
| IUPAC Name | 2-(4-propan-2-ylphenyl)acetyl chloride |
| InChI | InChI=1S/C11H13ClO/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3 |
| InChI Key | UHVGNVUYVXIYSH-UHFFFAOYSA-N |
| MDL Number | MFCD12024949 |
| Molecular Formula | C11H13ClO |
| Molecular Weight | 196.6733 |
| SMILES | O=C(Cl)CC1=CC=C(C(C)C)C=C1 |
| Synonyms | 52629-44-4,
4-isopropylphenylacetyl chloride,
Benzeneacetyl chloride, 4-(1-methylethyl)-,
2-(4-isopropylphenyl)acetyl chloride,
SCHEMBL1713859,
CTK1G2360,
DTXSID10629423,
ZINC95836250,
4-Isopropylbenzeneacetic acid chloride,
AKOS026676970,
[4-(Propan-2-yl)phenyl]acetyl chloride,
2-[4-(propan-2-yl)phenyl]acetyl chloride,
F2146-0481,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.674g/mol |
| Monoisotopic Mass | 196.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number