| CAS Number | 1039931-24-2 |
| Catalog Number | AG019ZR2(AGN-PC-0WOABA) |
| Chemical Name | 1-(2,6-Dichlorophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(2,6-dichlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8Cl2O2/c11-6-2-1-3-7(12)8(6)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14) |
| InChI Key | NXQXLGUJHJYCST-UHFFFAOYSA-N |
| MDL Number | MFCD11036987 |
| Molecular Formula | C10H8Cl2O2 |
| Molecular Weight | 231.0753 |
| SMILES | ClC1=C(C(=CC=C1)Cl)C1(CC1)C(=O)O |
| Synonyms | 1-(2,6-dichlorophenyl)cyclopropane-1-carboxylic acid,
1039931-24-2,
1-(2,6-Dichlorophenyl)cyclopropanecarboxylic Acid,
ZINC20429420,
AKOS009265548,
MCULE-8445443119,
NE35185,
RP27940,
SY140526,
MFCD11036987 (95%),
Z1416200976,
|
| Complexity | 241 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number