| CAS Number | 66041-25-6 |
| Catalog Number | AG00FLDN(AGN-PC-0ALRL1) |
| Chemical Name | 4-chloro-2,3-dihydro-1H-indene-1-carboxylic acid |
| IUPAC Name | 4-chloro-2,3-dihydro-1H-indene-1-carboxylic acid |
| InChI | InChI=1S/C10H9ClO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5H2,(H,12,13) |
| InChI Key | WHLGNJGRUYRMNH-UHFFFAOYSA-N |
| MDL Number | MFCD11219718 |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.6303 |
| SMILES | OC(C1C2=CC=CC(Cl)=C2CC1)=O |
| Synonyms | 4-chloro-2,3-dihydro-1H-indene-1-carboxylic acid,
66041-25-6,
4-chloroindan-1-carboxylic acid,
SCHEMBL10467293,
AKOS006306719,
NE57947,
4-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLICACID,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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