2-Bromo-4-methoxy-1-(trifluoromethyl)benzene - CAS 944901-07-9
Catalog: |
BB071555 |
Product Name: |
2-Bromo-4-methoxy-1-(trifluoromethyl)benzene |
CAS: |
944901-07-9 |
Synonyms: |
2-Bromo-4-methoxy-1-(trifluoromethyl)benzene; 3-BROMO-4-TRIFLUOROMETHYLANISOLE |
IUPAC Name: | 2-bromo-4-methoxy-1-(trifluoromethyl)benzene |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | COC1=CC(=C(C=C1)C(F)(F)F)Br |
InChI: | InChI=1S/C8H6BrF3O/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3 |
InChI Key: | QLLWMDACMSDONJ-UHFFFAOYSA-N |
References: | Chesworth, R., et al. PCT Int. Appl. (2014), WO 2014144169 A1 20140918. |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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