3-Bromo-4-nitroindole - CAS 126807-08-7

Catalog:	BB006667
Product Name:	3-Bromo-4-nitroindole
CAS:	126807-08-7
Synonyms:	3-bromo-4-nitro-1H-indole; 3-bromo-4-nitro-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-4-nitro-1H-indole
Description:	3-Bromo-4-nitroindole (CAS# 126807-08-7) is a useful research chemical.
Molecular Weight:	241.04
Molecular Formula:	C8H5BrN2O2
Canonical SMILES:	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)Br
InChI:	InChI=1S/C8H5BrN2O2/c9-5-4-10-6-2-1-3-7(8(5)6)11(12)13/h1-4,10H
InChI Key:	VYQRPDVMVMLVHA-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD04973972
LogP:	3.36180

Publication Number	Title	Priority Date
US-2014275541-A1	Total synthesis of thaxtomin a analogues and their intermediates	20130315
US-8993762-B2	Total synthesis of thaxtomin A analogues and their intermediates	20130315
WO-2014149171-A1	Total synthesis of thaxtomin a analogues and their intermediates	20130315
KR-20140002476-A	Pyrimidine conjugated derivatives having FMS kinase inhibitory activity	20120629
WO-2014003483-A1	Fused pyrimidine derivatives having inhibitory activity on fms kinases	20120629

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Related Functional Groups

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[2124-55-2]
Indole-4-carboxylic acid
[1670-87-7]
Indole-5-carboxamide

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.95344
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6