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4-nitro-2-phenylmethoxyaniline

CAT: 1266-JH230354Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH230354Size:1 Each
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CAS Number
25945-96-4
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C13H12N2O3
Molecular Weight
244.25
Product Name Synonym
4-nitro-2-phenylmethoxy-aniline
Physical Properties
White to beige solid
Safety Statements
S26-S36
Density
1.297g/cm3
Flash Point
234oC
Melting Point
68-70°C

Chemical Information

2-(Benzyloxy)-4-nitroaniline
CAS Number25945-96-4
PubChem CID2775797
IUPAC Name4-nitro-2-phenylmethoxyaniline
Molecular FormulaC13H12N2O3
Molecular Weight244.25
XLogP2.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H12N2O3/c14-12-7-6-11(15(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2
InChIKey
OTBQGZCBYVALOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy)-4-nitroaniline
CAS: 25945-96-4
CID: 2775797
Formula: C13H12N2O3
MW: 244.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.25
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass244.08479225
Monoisotopic Mass244.08479225
Topological Polar Surface Area81.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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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