3,3,3-Trifluoro-2-phenyl-1-propanol - CAS 113242-93-6
Catalog: |
BB003146 |
Product Name: |
3,3,3-Trifluoro-2-phenyl-1-propanol |
CAS: |
113242-93-6 |
Synonyms: |
3,3,3-trifluoro-2-phenyl-1-propanol; 3,3,3-trifluoro-2-phenylpropan-1-ol |
IUPAC Name: | 3,3,3-trifluoro-2-phenylpropan-1-ol |
Description: | 3,3,3-Trifluoro-2-phenyl-1-propanol (CAS# 113242-93-6 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H9F3O |
Canonical SMILES: | C1=CC=C(C=C1)C(CO)C(F)(F)F |
InChI: | InChI=1S/C9H9F3O/c10-9(11,12)8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2 |
InChI Key: | PDMIASFCGOSLLC-UHFFFAOYSA-N |
LogP: | 2.32480 |
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 |
WO-2020065467-A1 | Curable fluorine-based elastomer composite and cured product thereof | 20180926 |
CA-2926223-A1 | Cyclic thienouracil-carboxamides and use thereof | 20131007 |
CN-105793267-A | Cyclic thienouracil-carboxamides and use thereof | 20131007 |
EP-3055313-A1 | Cyclic thienouracil-carboxamides and use thereof | 20131007 |
EP-3055313-B1 | Cyclic thienouracil carboxamide and its use | 20131007 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.06054939 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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