AIMP2-DX2-IN-1

CAT: 0127-BUP01261-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01261-01Size:5 mg

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

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CAS Number

848256-17-7

Purity

=98%

Smiles

C(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)=O)C3OC=4C(OC3)=CC=CC4

Chemical Information

Aimp2-DX2-IN-1

CAS Number	848256-17-7
PubChem CID	4801170
IUPAC Name	N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-phenylphenyl)acetamide
Molecular Formula	C23H21NO3
Molecular Weight	359.4
XLogP	4.2
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	468

SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO3/c25-23(24-15-20-16-26-21-8-4-5-9-22(21)27-20)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,20H,14-16H2,(H,24,25)

InChIKey

HBQISKIXXNULAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 848256-17-7

CID: 4801170

Formula: C23H21NO3

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	359.15214353
Monoisotopic Mass	359.15214353
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane