2-(2-Benzothiazolyl)-4-bromo-phenol - CAS 6344-17-8
Catalog: |
BB073869 |
Product Name: |
2-(2-Benzothiazolyl)-4-bromo-phenol |
CAS: |
6344-17-8 |
Synonyms: |
2-(benzo[d]thiazol-2-yl)-4-bromophenol; 2-(1,3-benzothiazol-2-yl)-4-bromophenol |
IUPAC Name: | 2-(1,3-benzothiazol-2-yl)-4-bromophenol |
Molecular Weight: | 306.18 |
Molecular Formula: | C13H8BrNOS |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)O |
InChI: | InChI=1S/C13H8BrNOS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H |
InChI Key: | ZYMZFYQTMLOGQG-UHFFFAOYSA-N |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.951 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.951 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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