3-(3-Bromophenyl)-5-hydroxyisoxazole - CAS 1188158-52-2
Catalog: |
BB004303 |
Product Name: |
3-(3-Bromophenyl)-5-hydroxyisoxazole |
CAS: |
1188158-52-2 |
Synonyms: |
3-(3-bromophenyl)-2H-isoxazol-5-one; 3-(3-bromophenyl)-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-(3-bromophenyl)-2H-1,2-oxazol-5-one |
Description: | 3-(3-Bromophenyl)-5-hydroxyisoxazole (CAS# 1188158-52-2 ) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C2=CC(=O)ON2 |
InChI: | InChI=1S/C9H6BrNO2/c10-7-3-1-2-6(4-7)8-5-9(12)13-11-8/h1-5,11H |
InChI Key: | HOMHJWVBGICUEB-UHFFFAOYSA-N |
LogP: | 2.80970 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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