4-Bromo-2-naphthalenol - CAS 5498-31-7
Catalog: |
BB071317 |
Product Name: |
4-Bromo-2-naphthalenol |
CAS: |
5498-31-7 |
Synonyms: |
4-bromonaphthalen-2-ol; 1-Bromo-3-hydroxynaphthalene; 4-Bromo-2-naphthol; 4-Bromo-2-naphthalenol; 2-Naphthalenol, 4-bromo-; 4-Bromo-naphthalen-2-ol; 1-Bromo-3-naphthol |
IUPAC Name: | 4-bromonaphthalen-2-ol |
Molecular Weight: | 223.07 |
Molecular Formula: | C10H7BrO |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(C=C2Br)O |
InChI: | InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H |
InChI Key: | PQNQMYMGUXGWTG-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.96803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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