4-Bromo-3-(trifluoromethyl)phenylboronic acid - CAS 1310383-25-5
Catalog: |
BB062078 |
Product Name: |
4-Bromo-3-(trifluoromethyl)phenylboronic acid |
CAS: |
1310383-25-5 |
Synonyms: |
4-BROMO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID; (4-Bromo-3-(trifluoromethyl)phenyl)boronic acid; [4-bromo-3-(trifluoromethyl)phenyl]boronic acid; 4-Bromo-3-(trifluoromethyl)benzeneboronic acid |
IUPAC Name: | [4-bromo-3-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Bromo-3-(trifluoromethyl)phenylboronic acid |
Molecular Weight: | 268.82 |
Molecular Formula: | C7H5BBrF3O2 |
Canonical SMILES: | B(C1=CC(=C(C=C1)Br)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BBrF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H |
InChI Key: | CXINPDKNNNIGAH-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.95181 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.95181 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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