2-Bromo-3-(trifluoromethyl)phenol - CAS 1214323-39-3
Catalog: |
BB071461 |
Product Name: |
2-Bromo-3-(trifluoromethyl)phenol |
CAS: |
1214323-39-3 |
Synonyms: |
2-Bromo-3-(trifluoromethyl)phenol |
IUPAC Name: | 2-bromo-3-(trifluoromethyl)phenol |
Molecular Weight: | 241.01 |
Molecular Formula: | C7H4BrF3O |
Canonical SMILES: | C1=CC(=C(C(=C1)O)Br)C(F)(F)F |
InChI: | InChI=1S/C7H4BrF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H |
InChI Key: | MMCHLKGIGWXAIF-UHFFFAOYSA-N |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.93976 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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