3-(2-Chlorophenyl)cyclobutanone - CAS 1080636-35-6
Catalog: |
BB002165 |
Product Name: |
3-(2-Chlorophenyl)cyclobutanone |
CAS: |
1080636-35-6 |
Synonyms: |
3-(2-chlorophenyl)-1-cyclobutanone; 3-(2-chlorophenyl)cyclobutan-1-one |
IUPAC Name: | 3-(2-chlorophenyl)cyclobutan-1-one |
Description: | 3-(2-Chlorophenyl)cyclobutanone (CAS# 1080636-35-6) is a useful research chemical. |
Molecular Weight: | 180.63 |
Molecular Formula: | C10H9ClO |
Canonical SMILES: | C1C(CC1=O)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C10H9ClO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2 |
InChI Key: | PZRHYHKZMBRCKP-UHFFFAOYSA-N |
MDL: | MFCD11848525 |
LogP: | 2.78650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2481735-A1 | Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials | 20070509 |
US-2008280879-A1 | Substituted heterocyclic derivatives and their pharmaceutical use and compositions | 20070509 |
US-2011092480-A1 | Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions | 20070509 |
US-2012065188-A1 | Substituted heterocyclic derivatives and their pharmaceutical use and compositions | 20070509 |
WO-2008139288-A2 | Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials | 20070509 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0341926 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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