5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one - CAS 885273-81-4

Catalog:	BB038929
Product Name:	5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one
CAS:	885273-81-4
Synonyms:	5,7-dichloro-3,4-dihydro-2H-isoquinolin-1-one; 5,7-dichloro-3,4-dihydro-2H-isoquinolin-1-one

Technical Data

IUPAC Name:	5,7-dichloro-3,4-dihydro-2H-isoquinolin-1-one
Description:	5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one (CAS# 885273-81-4) is used in the preparation of cyclic benzolactams via electrophilic aromatic substitution reactions of carbamoyl cations. It also has potential use as an active agent for enhancing stress tolerance in plants against abiotic stress, for boosting plant growth and/or increasing plant yield.
Molecular Weight:	216.06
Molecular Formula:	C9H7Cl2NO
Canonical SMILES:	C1CNC(=O)C2=CC(=CC(=C21)Cl)Cl
InChI:	InChI=1S/C9H7Cl2NO/c10-5-3-7-6(8(11)4-5)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13)
InChI Key:	OIEJGYJUSCLONB-UHFFFAOYSA-N
LogP:	2.60810

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9904692
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.9904692
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5