| CAS Number | 61023-76-5 |
| Catalog Number | AG00ETCE(AGN-PC-00LS1B) |
| Chemical Name | 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C12H12Cl2O2/c13-8-3-4-9(10(14)7-8)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16) |
| InChI Key | CJVNUENSNUSROF-UHFFFAOYSA-N |
| MDL Number | MFCD11037097 |
| Molecular Formula | C12H12Cl2O2 |
| Molecular Weight | 259.1285 |
| SMILES | OC(C1(C2=C(Cl)C=C(Cl)C=C2)CCCC1)=O |
| Synonyms | 61023-76-5,
1-(2,4-dichlorophenyl)Cyclopentanecarboxylic acid,
1-(2,4-Dichlorophenyl)cyclopentane-1-carboxylic acid,
Cyclopentanecarboxylic acid, 1-(2,4-dichlorophenyl)-,
SCHEMBL9480750,
CTK2E8161,
DTXSID50533434,
ZINC20429447,
AKOS009264700,
MCULE-4070218479,
SY220332,
FT-0724480,
MFCD11037097 (95%),
Z2724441238,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.126g/mol |
| Monoisotopic Mass | 258.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number