| CAS Number | 1039951-74-0 |
| Catalog Number | AG01BEFG |
| Chemical Name | 1-(2,6-dichlorophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(2,6-dichlorophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H10Cl2O2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15) |
| InChI Key | PLQRUZIHVUOPFC-UHFFFAOYSA-N |
| MDL Number | MFCD11037041 |
| Molecular Formula | C11H10Cl2O2 |
| Molecular Weight | 245.1019 |
| SMILES | OC(C1(C2=C(Cl)C=CC=C2Cl)CCC1)=O |
| Synonyms | 1-(2,6-dichlorophenyl)cyclobutane-1-carboxylic acid,
1039951-74-0,
1-(2,6-Dichlorophenyl)cyclobutanecarboxylic Acid,
ZINC20429419,
AKOS009265547,
NE31060,
SY164497,
MFCD11037041 (95%),
Z1889917248,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.099g/mol |
| Monoisotopic Mass | 244.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number