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4-Nitrophenyl palmitate

CAT: 0127-BIN0442Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-BIN0442Size:10 g
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CAS Number
1492-30-4
Synonyms
Hexadecanoic acid 4-nitrophenyl ester
MDL Number
MFCD00047732
Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C

Chemical Information

p-Nitrophenyl palmitate

P-nitrophenyl palmitate is a palmitate ester obtained by condensation of the carboxy group of palmitic acid with the phenolic hydroxy group of p-nitrophenol. It is a hexadecanoate ester and a C-nitro compound. It is functionally related to a 4-nitrophenol.

CAS Number1492-30-4
PubChem CID73891
IUPAC Name(4-nitrophenyl) hexadecanoate
Molecular FormulaC22H35NO4
Molecular Weight377.5
XLogP8.8
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count27
Formal Charge0
Complexity386
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
InChIKey
LVZSQWIWCANHPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Nitrophenyl palmitate
CAS: 1492-30-4
CID: 73891
Formula: C22H35NO4
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass377.25660860
Monoisotopic Mass377.25660860
Topological Polar Surface Area72.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity386
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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