| CAS Number | 64220-31-1 |
| Catalog Number | AG01A544(AGN-PC-03KNN2) |
| Chemical Name | 6-amino-5-chloro-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 6-amino-5-chloro-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H8ClNO/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2,11H2 |
| InChI Key | PHFHXNRLFZLFOO-UHFFFAOYSA-N |
| MDL Number | MFCD21877587 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | NC1=C(Cl)C=C2C(C(CC2)=O)=C1 |
| Synonyms | 6-amino-5-chloro-2,3-dihydro-1H-inden-1-one,
64220-31-1,
5-Chloro-6-amino-1-indanone,
SCHEMBL6206980,
CTK2A6726,
DTXSID60622580,
PHFHXNRLFZLFOO-UHFFFAOYSA-N,
ZINC95347560,
AKOS026728117,
MCULE-3316431115,
NE16262,
1H-Inden-1-one, 6-amino-5-chloro-2,3-dihydro-,
Z1860991892,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number