| CAS Number | 938-35-2 |
| Catalog Number | AG0039XM(AGN-PC-0WANBT) |
| Chemical Name | 6-Chloro-4-methyl-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 6-chloro-4-methyl-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C10H9ClO/c1-6-4-7(11)5-9-8(6)2-3-10(9)12/h4-5H,2-3H2,1H3 |
| InChI Key | CSLWWQQYWQOBAX-UHFFFAOYSA-N |
| MDL Number | MFCD09908153 |
| Molecular Formula | C10H9ClO |
| Molecular Weight | 180.6309 |
| SMILES | O=C1CCC2=C1C=C(Cl)C=C2C |
| Synonyms | 6-Chloro-4-methyl-2,3-dihydro-1H-inden-1-one,
938-35-2,
MFCD09908153,
ZINC98178567,
AKOS006312426,
DS-9081,
AK148598,
6-chloro-4-methyl-2,3-dihydroinden-1-one,
AJ-139673,
ACN-030612,
1H-Inden-1-one, 6-chloro-2,3-dihydro-4-methyl-,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.631g/mol |
| Monoisotopic Mass | 180.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number