2-(5-Bromo-3-indolyl)-2-oxoacetic Acid - CAS 156695-44-2

Catalog:	BB011249
Product Name:	2-(5-Bromo-3-indolyl)-2-oxoacetic Acid
CAS:	156695-44-2
Synonyms:	2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid; 2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
Description:	2-(5-Bromo-3-indolyl)-2-oxoacetic Acid (CAS# 156695-44-2 ) is a useful research chemical.
Molecular Weight:	268.06
Molecular Formula:	C10H6BrNO3
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CN2)C(=O)C(=O)O
InChI:	InChI=1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15)
InChI Key:	GIQPNJXICXOHSG-UHFFFAOYSA-N
MDL:	MFCD09909340
LogP:	2.19770

Publication Number	Title	Priority Date
JP-WO2018164214-A1	Plant growth regulator	20170308
WO-2018164214-A1	Plant growth regulator	20170308
US-2021235697-A1	Plant growth regulator	20170308
EP-2548864-A1	Novel bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722
EP-2548864-B1	Novel bis-indolic derivatives, a process for preparing the same and their uses as a drug	20110722

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.95311
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	266.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1