3-(difluoromethoxy)cyclobutane-1-carboxylic acid - CAS 1803603-34-0
Catalog: |
BB013684 |
Product Name: |
3-(difluoromethoxy)cyclobutane-1-carboxylic acid |
CAS: |
1803603-34-0 |
Synonyms: |
3-(difluoromethoxy)-1-cyclobutanecarboxylic acid; 3-(difluoromethoxy)cyclobutane-1-carboxylic acid |
IUPAC Name: | 3-(difluoromethoxy)cyclobutane-1-carboxylic acid |
Description: | 3-(difluoromethoxy)cyclobutane-1-carboxylic acid (CAS# 1803603-34-0) is a useful research chemical. |
Molecular Weight: | 166.124 |
Molecular Formula: | C6H8F2O3 |
Canonical SMILES: | C1C(CC1OC(F)F)C(=O)O |
InChI: | InChI=1S/C6H8F2O3/c7-6(8)11-4-1-3(2-4)5(9)10/h3-4,6H,1-2H2,(H,9,10) |
InChI Key: | VFSSYJZLKXRHEJ-UHFFFAOYSA-N |
LogP: | 1.08880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3071024-A1 | Compounds, compositions and methods | 20170809 |
CN-111094233-A | Compounds, compositions and methods | 20170809 |
EP-3665156-A1 | Compounds, compositions and methods | 20170809 |
KR-20200037830-A | Compounds, compositions and methods | 20170809 |
TW-201920115-A | Compounds, compositions and methods | 20170809 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04415044 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Cyclobutane
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