1-Acetyl-5-bromo-7-nitroindoline - CAS 62368-07-4

Catalog:	BB031560
Product Name:	1-Acetyl-5-bromo-7-nitroindoline
CAS:	62368-07-4
Synonyms:	1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanone
Description:	1-Acetyl-5-bromo-7-nitroindoline (CAS# 62368-07-4) is a useful research chemical.
Molecular Weight:	285.09
Molecular Formula:	C10H9BrN2O3
Canonical SMILES:	CC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])Br
InChI:	InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
InChI Key:	RCELVCGNAKOBPO-UHFFFAOYSA-N
Boiling Point:	482.8 °C at 760 mmHg
Density:	1.688 g/cm³
Appearance:	Solid
MDL:	MFCD00056018
LogP:	2.85450

Publication Number	Title	Priority Date
US-2003040618-A1	Photocleavable protecting groups	20000911
US-2005101765-A1	Photocleavable protecting groups	20000911
US-2009076295-A1	Photocleavable protecting groups	20000911
US-2010324266-A1	Photocleavable Protecting Groups	20000911
AU-2886701-A	Integrin expression inhibitors	20000203

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Ethyl 3-Bromoindole-1-carboxylate

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GHS Hazard Statement:	H319 (90.48%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	318
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.97965
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.97965
Rotatable Bond Count:	0
Topological Polar Surface Area:	66.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8