5-Bromoisoindoline Hydrochloride - CAS 919346-89-7

Catalog:	BB040387
Product Name:	5-Bromoisoindoline Hydrochloride
CAS:	919346-89-7
Synonyms:	5-bromo-2,3-dihydro-1H-isoindole;hydrochloride; 5-bromo-2,3-dihydro-1H-isoindole;hydrochloride

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Computed Properties

IUPAC Name:	5-bromo-2,3-dihydro-1H-isoindole;hydrochloride
Description:	5-Bromoisoindoline Hydrochloride (CAS# 919346-89-7) is an intermediate used in the synthesis of 2,3-dihydro-1H-isoindoles with high affinity and selectivity for dopamine D3 receptor.
Molecular Weight:	234.52
Molecular Formula:	C8H9BrClN
Canonical SMILES:	C1C2=C(CN1)C=C(C=C2)Br.Cl
InChI:	InChI=1S/C8H8BrN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H
InChI Key:	GDMXNYRWVLBUDZ-UHFFFAOYSA-N
MDL:	MFCD10700135
LogP:	3.18310

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.96069
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.96069
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0