3-(Chloromethyl)bicyclo[4.2.0]octa-1,3,5-triene - CAS 65886-91-1
Catalog: |
BB062567 |
Product Name: |
3-(Chloromethyl)bicyclo[4.2.0]octa-1,3,5-triene |
CAS: |
65886-91-1 |
Synonyms: |
4-(Chloromethyl)-1,2-dihydrobenzocyclobutene; 4-(Chloromethyl)benzocyclobutane |
IUPAC Name: | 3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene |
Molecular Weight: | 152.6 |
Molecular Formula: | C9H9Cl |
Canonical SMILES: | C1CC2=C1C=CC(=C2)CCl |
InChI: | InChI=1S/C9H9Cl/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2 |
InChI Key: | FYKNVCZCLNRURQ-UHFFFAOYSA-N |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.039278 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.039278 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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