5-Chloro-2-indanone

CAT: 0127-OR938561-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR938561-01Size:250 mg

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CAS Number

74444-81-8

MDL Number

MFCD09744099

Purity

95%

Smiles

Clc1ccc2CC(=O)Cc2c1

Chemical Information

5-Chloro-1H-inden-2(3H)-one

CAS Number	74444-81-8
PubChem CID	21837535
IUPAC Name	5-chloro-1,3-dihydroinden-2-one
Molecular Formula	C9H7ClO
Molecular Weight	166.60
XLogP	1.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	178

SMILES

C1C(=O)CC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C9H7ClO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2

InChIKey

MMMPPHUZDOMQDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74444-81-8

CID: 21837535

Formula: C9H7ClO

MW: 166.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.60
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	166.0185425
Monoisotopic Mass	166.0185425
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178
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
ZCA44481	5-Chloro-2-indanone
435965-01	5-Chloro-1-Indanone
JH144831	5-Chloro-2-hydroxy-2-methoxycarbonyl-1-indanone
234071-01	5-Chloro-1-indanone 99+% (HPLC)
sc-233334	5-Chloro-6-methoxy-1-indanone
sc-311012	4-Chloro-5-methoxy-1-indanone
sc-268125	5-Nitro-2-indanone
sc-227059	6-Chloro-1-indanone
sc-268371	7-Chloro-1-indanone
418392-01	2-Indanone