4-Bromo-2-chloro-alpha-(trifluoromethyl)benzyl Alcohol - CAS 1598355-16-8
Catalog: |
BB011572 |
Product Name: |
4-Bromo-2-chloro-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
1598355-16-8 |
Synonyms: |
1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethanol; 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethanol |
Description: | 4-Bromo-2-chloro-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 1598355-16-8 ) is a useful research chemical. |
Molecular Weight: | 289.48 |
Molecular Formula: | C8H5BrClF3O |
Canonical SMILES: | C1=CC(=C(C=C1Br)Cl)C(C(F)(F)F)O |
InChI: | InChI=1S/C8H5BrClF3O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3,7,14H |
InChI Key: | YYNHERMFTKJUCF-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.91644 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.91644 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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