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4’-Benzyloxy-3’-nitroacetophenone

CAT: 0572-TRC-B287010-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B287010-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14347-05-8
Hazard Statement
No Data Available
Smiles
CC(=O)c1ccc(OCc2ccccc2)c(c1)[N+](=O)[O-]
Molecular Formula
C15 H13 N O4
Molecular Weight
271.27
InChI
InChI=1S/C15H13NO4/c1-11(17)13-7-8-15(14(9-13)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
Additionnal Information
IUPAC name: 1-(3-nitro-4-phenylmethoxyphenyl)ethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-(3-Nitro-4-phenylmethoxyphenyl)ethanone
CAS Number14347-05-8
PubChem CID11265720
IUPAC Name1-(3-nitro-4-phenylmethoxyphenyl)ethanone
Molecular FormulaC15H13NO4
Molecular Weight271.27
XLogP2.9
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13NO4/c1-11(17)13-7-8-15(14(9-13)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
OWKGFSOHSDMRJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Nitro-4-phenylmethoxyphenyl)ethanone
CAS: 14347-05-8
CID: 11265720
Formula: C15H13NO4
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass271.08445790
Monoisotopic Mass271.08445790
Topological Polar Surface Area72.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
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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