SJ000291942 25mg

CAT: 0628-A19460-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A19460-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

425613-09-8

Chemical Information

2-(4-ethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide

CAS Number	425613-09-8
PubChem CID	875819
IUPAC Name	2-(4-ethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
Molecular Formula	C16H15FN2O4
Molecular Weight	318.30
XLogP	3.5
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	407

SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN2O4/c1-2-11-3-6-13(7-4-11)23-10-16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)

InChIKey

YSZJLXPXVFGTNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 425613-09-8

CID: 875819

Formula: C16H15FN2O4

MW: 318.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.30
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	318.10158513
Monoisotopic Mass	318.10158513
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes