5-Bromo-2-(1H-pyrazol-3-yl)phenol - CAS 114486-00-9
Catalog: |
BB003401 |
Product Name: |
5-Bromo-2-(1H-pyrazol-3-yl)phenol |
CAS: |
114486-00-9 |
Synonyms: |
5-bromo-2-(1H-pyrazol-5-yl)phenol |
IUPAC Name: | 5-bromo-2-(1H-pyrazol-5-yl)phenol |
Description: | 5-Bromo-2-(1H-pyrazol-3-yl)phenol (CAS# 114486-00-9) is a useful research chemical. |
Molecular Weight: | 239.07 |
Molecular Formula: | C9H7BrN2O |
Canonical SMILES: | C1=CC(=C(C=C1Br)O)C2=CC=NN2 |
InChI: | InChI=1S/C9H7BrN2O/c10-6-1-2-7(9(13)5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12) |
InChI Key: | WZIZGAUXNYGZML-UHFFFAOYSA-N |
LogP: | 1.19230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97418 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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