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2'-Hydroxy-5'-nitrohexadecanamide

CAT: 0926-FH24274-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24274-03Size:250 mg
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CAS Number
60301-87-3
Synonyms
N- (2-Hydroxy-5-nitrophenyl) hexadecanamide
MDL Number
MFCD00056113
Smiles
CCCCCCCCCCCCCCCC (=O) NC1=C (C=CC (=C1) [N+] (=O) [O-]) O
Molecular Formula
C22H36N2O4
Molecular Weight
392.53 g/mol
Controlled
No

Chemical Information

2-(n-Hexadecanoylamino)-4-nitrophenol
CAS Number60301-87-3
PubChem CID3484145
IUPAC NameN-(2-hydroxy-5-nitrophenyl)hexadecanamide
Molecular FormulaC22H36N2O4
Molecular Weight392.5
XLogP7.9
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count28
Formal Charge0
Complexity425
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C22H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)23-20-18-19(24(27)28)16-17-21(20)25/h16-18,25H,2-15H2,1H3,(H,23,26)
InChIKey
OXIUBIYNTOOVQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(n-Hexadecanoylamino)-4-nitrophenol
CAS: 60301-87-3
CID: 3484145
Formula: C22H36N2O4
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass392.26750763
Monoisotopic Mass392.26750763
Topological Polar Surface Area95.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity425
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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