| CAS Number | 13099-73-5 |
| Catalog Number | AG000V8N(AGN-PC-0WNRP8) |
| Chemical Name | 1H-INDEN-1-ONE, 6-CHLORO-2,3-DIHYDRO-2,2-DIMETHYL- |
| IUPAC Name | 6-chloro-2,2-dimethyl-3H-inden-1-one |
| InChI | InChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3 |
| InChI Key | XFZYJZIKQGZVES-UHFFFAOYSA-N |
| MDL Number | MFCD11219440 |
| Molecular Formula | C11H11ClO |
| Molecular Weight | 194.6574 |
| SMILES | O=C1C(C)(C)CC2=C1C=C(Cl)C=C2 |
| Synonyms | 6-chloro-2,2-dimethyl-2,3-dihydro-1H-inden-1-one,
13099-73-5,
6-chloro-2,2-dimethyl-indanone,
SCHEMBL2352750,
XFZYJZIKQGZVES-UHFFFAOYSA-N,
ZINC88613661,
AKOS006308765,
MCULE-3249884389,
NE19812,
AJ-128242,
1H-Inden-1-one, 6-chloro-2,3-dihydro-2,2-dimethyl-,
Z1552026879,
6-chloro-2,3-dihydro-2,2-dimethyl-1h-inden-1-one,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.658g/mol |
| Monoisotopic Mass | 194.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number