3-Benzyloxy-5-bromobenzotrifluoride - CAS 130723-14-7
Catalog: |
BB055115 |
Product Name: |
3-Benzyloxy-5-bromobenzotrifluoride |
CAS: |
130723-14-7 |
Synonyms: |
1-(Benzyloxy)-3-bromo-5-trifluoromethylbenzene; 3-Benzyloxy-5-bromobenzotrifluoride; 1-bromo-3-phenylmethoxy-5-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-3-phenylmethoxy-5-(trifluoromethyl)benzene |
Description: | 3-Benzyloxy-5-bromobenzotrifluoride |
Molecular Weight: | 331.13 |
Molecular Formula: | C14H10BrF3O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(F)(F)F)Br |
InChI: | InChI=1S/C14H10BrF3O/c15-12-6-11(14(16,17)18)7-13(8-12)19-9-10-4-2-1-3-5-10/h1-8H,9H2 |
InChI Key: | UYBXRJFRUVREDM-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.98671 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.98671 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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