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IV-23

CAT: 0013-GTR19205553-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205553-01Size:25 mg
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Description
IV-23
CAS Number
2326007-49-0
Field of Research
Cell Biology
Smiles
C (=O) (N1C=2C (CC1) =CC (Br) =CC2) C3=CC (OC) =C (OC) C (OC) =C3
Molecular Formula
C18H18BrNO4
Molecular Weight
392.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5-Bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CAS Number2326007-49-0
PubChem CID139035061
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Molecular FormulaC18H18BrNO4
Molecular Weight392.2
XLogP3.6
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity435
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC3=C2C=CC(=C3)Br
InChI
InChI=1S/C18H18BrNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-5,8-10H,6-7H2,1-3H3
InChIKey
WQEJDTDMFXKTOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CAS: 2326007-49-0
CID: 139035061
Formula: C18H18BrNO4
MW: 392.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.2
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass391.04192
Monoisotopic Mass391.04192
Topological Polar Surface Area48 Ų
Heavy Atom Count24
Formal Charge0
Complexity435
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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