| CAS Number | 220353-25-3 |
| Catalog Number | AG019RV7 |
| Chemical Name | (1R,2R)-2-(3,5-Dichlorophenyl)cyclopropanecarboxylic acid |
| IUPAC Name | 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8Cl2O2/c11-6-1-5(2-7(12)3-6)8-4-9(8)10(13)14/h1-3,8-9H,4H2,(H,13,14) |
| InChI Key | IXQKEOPPCOTSSC-UHFFFAOYSA-N |
| MDL Number | MFCD31567279 |
| Molecular Formula | C10H8Cl2O2 |
| Molecular Weight | 231.0753 |
| SMILES | c1c(cc(cc1Cl)Cl)[C@@H]2C[C@H]2C(=O)O |
| Synonyms | 2-(3,5-Dichlorophenyl)cyclopropane-1-carboxylic acid,
1183181-06-7,
2-(3,5-dichlorophenyl)cyclopropanecarboxylic acid,
EN300-90599,
SCHEMBL8150011,
220353-25-3,
MFCD12149922,
AKOS005217938,
MCULE-5354113406,
NE22018,
1-Carboxy-2-(3,5-dichlorophenyl)cyclopropane,
1-(2-Carboxycycloprop-1-yl)-3,5-dichlorobenzene,
Z1262398534,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.072g/mol |
| Monoisotopic Mass | 229.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number