Oxazol-2-yl-phenylmethanol - CAS 130552-00-0
Catalog: |
BB007137 |
Product Name: |
Oxazol-2-yl-phenylmethanol |
CAS: |
130552-00-0 |
Synonyms: |
1,3-oxazol-2-yl(phenyl)methanol |
IUPAC Name: | 1,3-oxazol-2-yl(phenyl)methanol |
Description: | Oxazol-2-yl-phenylmethanol (CAS# 130552-00-0 ) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=NC=CO2)O |
InChI: | InChI=1S/C10H9NO2/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7,9,12H |
InChI Key: | WINHVVCCDHHBNG-UHFFFAOYSA-N |
Boiling Point: | 309.124 °C at 760 mmHg |
Melting Point: | 88-92 °C(lit.) |
Purity: | 95 % |
Density: | 1.224 g/cm3 |
MDL: | MFCD05865215 |
LogP: | 1.75630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016535001-A | Phenyl-linked quinolinyl modulator of RORγt | 20131015 |
KR-20160068959-A | Phenyl linked quinolinyl modulators of ror-gamma-t | 20131015 |
JP-2015536321-A | ROR-gamma-t phenyl-linked quinolinyl modulator | 20121016 |
JP-6251277-B2 | ROR-gamma-t phenyl-linked quinolinyl modulator | 20121016 |
KR-20150070350-A | Phenyl linked quinolinyl modulators of ror-gamma-t | 20121016 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Oxazole/Thiazole
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