4-Chloro-1-indanone - CAS 15115-59-0

Catalog:	BB010619
Product Name:	4-Chloro-1-indanone
CAS:	15115-59-0
Synonyms:	4-chloro-2,3-dihydroinden-1-one; 4-chloro-2,3-dihydroinden-1-one

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2,3-dihydroinden-1-one
Description:	4-Chloro-1-indanone (CAS# 15115-59-0) is a useful research chemical.
Molecular Weight:	166.60
Molecular Formula:	C9H7ClO
Canonical SMILES:	C1CC(=O)C2=C1C(=CC=C2)Cl
InChI:	InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChI Key:	MYCZDIIPHIGLCH-UHFFFAOYSA-N
Boiling Point:	285.8 °C at 760 mmHg
Density:	1.312 g/cm³
MDL:	MFCD08544408
LogP:	2.46890

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
US-2020317665-A1	Protein tyrosine phosphatase inhibitors	20190402
TW-202102490-A	Protein tyrosine phosphatase inhibitors	20190402
AU-2018256423-A1	PD-1/PD-L1 inhibitors	20170420
CN-110799509-A	PD-1/PD-L1 inhibitors	20170420

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0185425
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.0185425
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3