3-Bromo-4-methoxy-alpha-(trifluoromethyl)benzyl Alcohol - CAS 1249929-52-9
Catalog: |
BB006039 |
Product Name: |
3-Bromo-4-methoxy-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
1249929-52-9 |
Synonyms: |
1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanol; 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanol |
Description: | 3-Bromo-4-methoxy-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 1249929-52-9) is a useful research chemical. |
Molecular Weight: | 285.06 |
Molecular Formula: | C9H8BrF3O2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(C(F)(F)F)O)Br |
InChI: | InChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8,14H,1H3 |
InChI Key: | JKZPYJJPAHZBFZ-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.96598 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.96598 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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