2-Bromo-3-chlorophenylacetic Acid - CAS 1261775-55-6
Catalog: |
BB072377 |
Product Name: |
2-Bromo-3-chlorophenylacetic Acid |
CAS: |
1261775-55-6 |
Synonyms: |
2-BROMO-3-CHLOROPHENYLACETIC ACID; 2-(2-bromo-3-chlorophenyl)acetic acid; Benzeneacetic acid, 2-bromo-3-chloro-; 2-(2-bromo-3-chlorophenyl)aceticacid |
IUPAC Name: | 2-(2-bromo-3-chlorophenyl)acetic acid |
Molecular Weight: | 249.49 |
Molecular Formula: | C8H6O2ClBr |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Br)CC(=O)O |
InChI: | InChI=1S/C8H6BrClO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12) |
InChI Key: | BWWZVTBUNNJBBT-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92397 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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