| CAS Number | 1473-47-8 |
| Catalog Number | AG001ESL(AGN-PC-03WKSB) |
| Chemical Name | Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride |
| IUPAC Name | bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride |
| InChI | InChI=1S/C9H7ClO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2 |
| InChI Key | FRRRANOWXWHKJE-UHFFFAOYSA-N |
| MDL Number | MFCD11520756 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | ClC(C1C2=C(C=CC=C2)C1)=O |
| Synonyms | 1473-47-8,
BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBONYL CHLORIDE,
benzocyclobutanecarbonyl chloride,
Bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonyl chloride,
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylchloride,
SCHEMBL3840366,
CTK0H1638,
DTXSID30629203,
FRRRANOWXWHKJE-UHFFFAOYSA-N,
AKOS006325591,
SC-61000,
BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBONYL CHLORID,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.604g/mol |
| Monoisotopic Mass | 166.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number