3-Bromo-5-(trifluoromethyl)phenylacetic acid - CAS 1161362-01-1
Catalog: |
BB071452 |
Product Name: |
3-Bromo-5-(trifluoromethyl)phenylacetic acid |
CAS: |
1161362-01-1 |
Synonyms: |
3-Bromo-5-(trifluoromethyl)phenylacetic acid; 2-[3-bromo-5-(trifluoromethyl)phenyl]acetic acid; 2-(3-bromo-5-(trifluoromethyl)phenyl)acetic acid; 3-bromo-5-trifluoromethylphenylacetic acid; [3-bromo-5-(trifluoromethyl)phenyl]acetic acid; 3-Bromo-5-(trifluoromethyl)phenylaceticacid |
IUPAC Name: | 2-[3-bromo-5-(trifluoromethyl)phenyl]acetic acid |
Description: | 3-Bromo-5-(trifluoromethyl)phenylacetic acid |
Molecular Weight: | 283.04 |
Molecular Formula: | C9H6BrF3O2 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)Br)CC(=O)O |
InChI: | InChI=1S/C9H6BrF3O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15) |
InChI Key: | POLZAYSCKXDHKM-UHFFFAOYSA-N |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.95033 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.95033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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