3-Trichloroacetylindole

CAT: 0926-FT67391-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FT67391-01Size:250 mg

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CAS Number

30030-90-1

MDL Number

MFCD00189400

Smiles

C1=CC=C2C (=C1) C (=CN2) C (=O) C (Cl) (Cl) Cl

Molecular Formula

C10H6Cl3NO

Molecular Weight

262.52 g/mol

Controlled

Chemical Information

2,2,2-trichloro-1-(1H-indol-3-yl)ethanone

CAS Number	30030-90-1
PubChem CID	1867684
IUPAC Name	2,2,2-trichloro-1-(1H-indol-3-yl)ethanone
Molecular Formula	C10H6Cl3NO
Molecular Weight	262.5
XLogP	4.2
Topological Polar Surface Area	32.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	264

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C10H6Cl3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H

InChIKey

PJPSKRATLNFZFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30030-90-1

CID: 1867684

Formula: C10H6Cl3NO

MW: 262.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.5
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	260.951497
Monoisotopic Mass	260.951497
Topological Polar Surface Area	32.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264
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

Catalog	Name
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-01	3- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-01	3-[ (3,3,3-Trifluoropropyl) amino]propanenitrile
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Catalog	Name
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
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NU-456L	3',3',3'-cAAG
sc-261129	3,3,3-Trifluoropropionitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide
sc-347307A	3,3,3-trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile