| CAS Number | 135634-40-1 |
| Catalog Number | AG01BV6T(AGN-PC-0N1II8) |
| Chemical Name | 2-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid |
| IUPAC Name | 2-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid |
| InChI | InChI=1S/C9H7ClO2/c10-8-3-1-2-5-6(8)4-7(5)9(11)12/h1-3,7H,4H2,(H,11,12) |
| InChI Key | HICLKCKBGFUQCW-UHFFFAOYSA-N |
| MDL Number | MFCD20639678 |
| Molecular Formula | C9H7ClO2 |
| Molecular Weight | 182.6037 |
| SMILES | OC(C1C2=CC=CC(Cl)=C2C1)=O |
| Synonyms | 135634-40-1,
3-chloro-1,2-dihydrocyclobutabenzene-1-carboxylic acid,
2-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid,
2-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid,
SCHEMBL1721952,
HICLKCKBGFUQCW-UHFFFAOYSA-N,
AKOS033971399,
Z2671043372,
CID10261768,
5-chlorobicyclo[4.2.0]octa-2,4,9-triene-8-carboxylic Acid,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.603g/mol |
| Monoisotopic Mass | 182.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number