| CAS Number | 1628507-88-9 |
| Catalog Number | AG00HYSO(AGN-PC-0WOB9T) |
| Chemical Name | 1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-borono-3-chlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H10BClO4/c12-8-5-6(1-2-7(8)11(15)16)10(3-4-10)9(13)14/h1-2,5,15-16H,3-4H2,(H,13,14) |
| InChI Key | WZTRQYNCERVOEM-UHFFFAOYSA-N |
| MDL Number | MFCD22192439 |
| Molecular Formula | C10H10BClO4 |
| Molecular Weight | 240.4480 |
| SMILES | OC(=O)C1(CC1)c1ccc(c(c1)Cl)B(O)O |
| Synonyms | 1-[3-Chloro-4-(dihydroxyboranyl)phenyl]cyclopropane-1-carboxylic acid,
1628507-88-9,
1-(4-borono-3-chlorophenyl)cyclopropanecarboxylic acid,
PubChem24265,
C10H10BClO4,
SCHEMBL16061601,
WZTRQYNCERVOEM-UHFFFAOYSA-N,
MFCD22192439,
AKOS026671096,
ZINC169977980,
W2864,
B-9172,
1-[3-chloro-4-(dihydroxyboranyl)phenyl]-cyclopropane-1-carboxylic acid,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.446g/mol |
| Monoisotopic Mass | 240.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number