3-Bromophenylphosphonic acid - CAS 6959-02-0
Catalog: |
BB043810 |
Product Name: |
3-Bromophenylphosphonic acid |
CAS: |
6959-02-0 |
Synonyms: |
Phosphonic acid, (m-bromophenyl)-; (m-Bromophenyl)phosphonic acid |
IUPAC Name: | (3-bromophenyl)phosphonic acid |
Description: | 3-Bromophenylphosphonic acid (CAS# 6959-02-0 ) is a useful research chemical. |
Molecular Weight: | 236.99 |
Molecular Formula: | C6H6BrO3P |
Canonical SMILES: | C1=CC(=CC(=C1)Br)P(=O)(O)O |
InChI: | InChI=1S/C6H6BrO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) |
InChI Key: | FVXYXYBKMLOQGI-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92379 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92379 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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