5-Chloro-3,4-dihydroisoquinolin-1(2H)-one - CAS 129075-59-8

Catalog:	BB006968
Product Name:	5-Chloro-3,4-dihydroisoquinolin-1(2H)-one
CAS:	129075-59-8
Synonyms:	5-chloro-3,4-dihydro-2H-isoquinolin-1-one; 5-chloro-3,4-dihydro-2H-isoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-3,4-dihydro-2H-isoquinolin-1-one
Description:	5-Chloro-3,4-dihydroisoquinolin-1(2H)-one (CAS# 129075-59-8) is a useful research chemical.
Molecular Weight:	181.62
Molecular Formula:	C9H8ClNO
Canonical SMILES:	C1CNC(=O)C2=C1C(=CC=C2)Cl
InChI:	InChI=1S/C9H8ClNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
InChI Key:	ZFVBSNKDRBLAQP-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.95470

Publication Number	Title	Priority Date
EP-3316884-A1	Therapeutic inhibitory compouds	20150701
US-10023557-B2	Therapeutic inhibitory compounds	20150701
US-10308637-B2	Therapeutic inhibitory compounds	20150701
US-2017029406-A1	Therapeutic inhibitory compounds	20150701
US-2019002437-A1	Therapeutic inhibitory compounds	20150701

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0294416
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.0294416
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9