2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid - CAS 1314671-09-4
Catalog: |
BB071630 |
Product Name: |
2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid |
CAS: |
1314671-09-4 |
Synonyms: |
2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid |
IUPAC Name: | 2-(4-bromo-2-fluorophenyl)-2-methylpropanoic acid |
Description: | 2-(4-Bromo-2-fluorophenyl)-2-methylpropanoic acid |
Molecular Weight: | 261.09 |
Molecular Formula: | C10H10BrFO2 |
Canonical SMILES: | CC(C)(C1=C(C=C(C=C1)Br)F)C(=O)O |
InChI: | InChI=1S/C10H10BrFO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14) |
InChI Key: | ODHFDRDHMWQTHI-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.98482 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.98482 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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