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7-Benzyloxyquinoline

CAT: 0862-GK0634-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GK0634-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131802-60-3
MDL Number
MFCD00870296
HS Code
2933499090
Purity
98.50%
Molecular Formula
C16H13NO
Molecular Weight
235.28
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

7-Benzyloxyquinoline

fluorescent substrate for cytochrome P-450 monooxygenases; structure given in first source

CAS Number131802-60-3
PubChem CID3035604
IUPAC Name7-phenylmethoxyquinoline
Molecular FormulaC16H13NO
Molecular Weight235.28
XLogP3.9
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity249
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
InChIKey
SIDLHXXVIBTSJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Benzyloxyquinoline
CAS: 131802-60-3
CID: 3035604
Formula: C16H13NO
MW: 235.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.28
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass235.099714038
Monoisotopic Mass235.099714038
Topological Polar Surface Area22.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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