1-Benzyl-5-bromoisatin - CAS 79183-44-1

Catalog:	BB048997
Product Name:	1-Benzyl-5-bromoisatin
CAS:	79183-44-1
Synonyms:	1-benzyl-5-bromo-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 5-bromo-1-(phenylmethyl)-; 5-bromo-1-benzylbenzo[d]azolidine-2,3-dione; 1-Benzyl-5-bromo-2,3-indolinedione

Technical Data

Computed Properties

IUPAC Name:	1-benzyl-5-bromoindole-2,3-dione
Description:	1-Benzyl-5-bromoisatin (CAS# 79183-44-1 ) is a useful research chemical.
Molecular Weight:	316.15
Molecular Formula:	C15H10BrNO2
Canonical SMILES:	C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O
InChI:	InChI=1S/C15H10BrNO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:	GGXZCVYJRFSCPS-UHFFFAOYSA-N
Boiling Point:	472.5±55.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[771-50-6]
Indole-3-carboxylic acid

Complexity:	378
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.98949
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	314.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1