2-(3-Chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione - CAS 19667-37-9

Name: 2-(3-Chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB055514
Product Name:	2-(3-Chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione
CAS:	19667-37-9
Synonyms:	2-(3-chloro-2-hydroxypropyl)isoindoline-1,3-dione; 2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione; 1-chloro-3-phthalimido-2-propanol; 2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione; 2-(3-chloro-2-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dione; 2-(3-Chloro-2-hydroxypropyl)-2H-isoindole-1,3-dione

Technical Data

IUPAC Name:	2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
Molecular Weight:	239.65
Molecular Formula:	C11H10ClNO3
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCl)O
InChI:	InChI=1S/C11H10ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4,7,14H,5-6H2
InChI Key:	KBRVYEPWGIQEOF-UHFFFAOYSA-N

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

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Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.0349209
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.0349209
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5