1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene - CAS 69902-84-7
Catalog: |
BB072330 |
Product Name: |
1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene |
CAS: |
69902-84-7 |
Synonyms: |
1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene; 2-Bromo-6-(trifluoromethyl)benzyl bromide; 2-bromo-6-trifluoromethylbenzyl bromide |
IUPAC Name: | 1-bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene |
Description: | 1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene |
Molecular Weight: | 317.93 |
Molecular Formula: | C8H5Br2F3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)CBr)C(F)(F)F |
InChI: | InChI=1S/C8H5Br2F3/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2 |
InChI Key: | HMPNGWMCGUPJFD-UHFFFAOYSA-N |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.86896 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.87101 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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