GW406108X

CAT: 0607-BA3634-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA3634-5Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1644443-92-4

Form

A solid

Molecular Formula

C20H11Cl2NO4

Molecular Weight

400.21

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

GW406108X(Z/E)

CAS Number	1644443-92-4
PubChem CID	44312236
IUPAC Name	(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-carbonyl)-1H-indol-2-one
Molecular Formula	C20H11Cl2NO4
Molecular Weight	400.2
XLogP	4.5
Topological Polar Surface Area	79.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	627

SMILES

C1=COC(=C1)C(=O)C2=CC\3=C(C=C2)NC(=O)/C3=C\C4=CC(=C(C(=C4)Cl)O)Cl

InChI

InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-

InChIKey

XKTUKRBLWOHYIL-MLPAPPSSSA-N

Chemical Structure

2D Structure

CAS: 1644443-92-4

CID: 44312236

Formula: C20H11Cl2NO4

MW: 400.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.2
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	399.0065132
Monoisotopic Mass	399.0065132
Topological Polar Surface Area	79.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	627
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes