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Flutamide Related Compound B

CAT: 1410-M14353-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Used as pharmaceutical intermediates.
CAS Number
393-12-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
248.16
Molecular Formula
C9H7F3N2O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

4-Nitro-3-trifluoromethylacetanilide
CAS Number393-12-4
PubChem CID246769
IUPAC NameN-[4-nitro-3-(trifluoromethyl)phenyl]acetamide
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16
XLogP2.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity314
SMILES
CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKey
MIHJCLQINRFOLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitro-3-trifluoromethylacetanilide
CAS: 393-12-4
CID: 246769
Formula: C9H7F3N2O3
MW: 248.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.16
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass248.04087658
Monoisotopic Mass248.04087658
Topological Polar Surface Area74.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity314
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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