1-(Trifluoromethyl)cyclopropane-1-carboxylic acid - CAS 277756-46-4
Catalog: |
BB019669 |
Product Name: |
1-(Trifluoromethyl)cyclopropane-1-carboxylic acid |
CAS: |
277756-46-4 |
Synonyms: |
1-(trifluoromethyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(trifluoromethyl)cyclopropane-1-carboxylic acid |
Description: | An intermediate in the preparation of MK-5046, a potent, selective bombesin receptor subtype-3 agonist for the treatment of obesity. |
Molecular Weight: | 154.09 |
Molecular Formula: | C5H5F3O2 |
Canonical SMILES: | C1CC1(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10) |
InChI Key: | SKCBKBCACWDALV-UHFFFAOYSA-N |
Boiling Point: | 159.7 °C at 760 mmHg |
Density: | 1.588 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03093070 |
LogP: | 1.41350 |
GHS Hazard Statement: | H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02416388 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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