7-Benzyloxyquinoline - CAS 131802-60-3
Catalog: |
BB053843 |
Product Name: |
7-Benzyloxyquinoline |
CAS: |
131802-60-3 |
Synonyms: |
7-Benzyloxyquinoline |
IUPAC Name: | 7-phenylmethoxyquinoline |
Molecular Weight: | 235.28 |
Molecular Formula: | C16H13NO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=CC=N3)C=C2 |
InChI: | InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2 |
InChI Key: | SIDLHXXVIBTSJZ-UHFFFAOYSA-N |
Purity: | 95% by HNMR |
Density: | 1.167 g/cm3 |
Appearance: | White to Off-white Powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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