Methyl 3-Bromocyclobutanecarboxylate - CAS 4935-00-6
Catalog: |
BB026696 |
Product Name: |
Methyl 3-Bromocyclobutanecarboxylate |
CAS: |
4935-00-6 |
Synonyms: |
3-bromo-1-cyclobutanecarboxylic acid methyl ester; methyl 3-bromocyclobutane-1-carboxylate |
IUPAC Name: | methyl 3-bromocyclobutane-1-carboxylate |
Description: | Methyl 3-Bromocyclobutanecarboxylate (CAS# 4935-00-6) is a useful research chemical. |
Molecular Weight: | 193.04 |
Molecular Formula: | C6H9BrO2 |
Canonical SMILES: | COC(=O)C1CC(C1)Br |
InChI: | InChI=1S/C6H9BrO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3H2,1H3 |
InChI Key: | PXUHGFNZFJXRFN-UHFFFAOYSA-N |
LogP: | 1.33290 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018360270-A1 | Bicyclic sulfones and sulfoxides and methods of use thereof | 20171031 |
CA-3078688-A1 | Bicyclic sulfones and sulfoxides and methods of use thereof | 20171031 |
CN-111278809-A | Bicyclic sulfones and sulfoxides, and methods of use thereof | 20171031 |
TW-201922748-A | Bicyclic guanidines and guanidines and methods of use thereof | 20171031 |
US-2019127382-A1 | Bicyclic sulfones and sulfoxides and methods of use thereof | 20171031 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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