5-Bromo-3-fluorobenzene-1,2-diol - CAS 876861-29-9
Catalog: |
BB071886 |
Product Name: |
5-Bromo-3-fluorobenzene-1,2-diol |
CAS: |
876861-29-9 |
Synonyms: |
5-Bromo-3-fluorobenzene-1,2-diol; 1,2-Benzenediol, 5-bromo-3-fluoro- |
IUPAC Name: | 5-bromo-3-fluorobenzene-1,2-diol |
Molecular Weight: | 207 |
Molecular Formula: | C6H4BrFO2 |
Canonical SMILES: | C1=C(C=C(C(=C1O)O)F)Br |
InChI: | InChI=1S/C6H4BrFO2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H |
InChI Key: | NTMLYGHAJRXVMB-UHFFFAOYSA-N |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.93787 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.93787 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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