5-Bromoindoxyl acetate - CAS 17357-14-1

Catalog:	BB012933
Product Name:	5-Bromoindoxyl acetate
CAS:	17357-14-1
Synonyms:	(5-bromo-1H-indol-3-yl) acetate

Technical Data

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Computed Properties

IUPAC Name:	(5-bromo-1H-indol-3-yl) acetate
Description:	5-Bromoindoxyl acetate (CAS# 17357-14-1) is a useful research chemical compound.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	CC(=O)OC1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C10H8BrNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3
InChI Key:	KFTGECHXNQBTNZ-UHFFFAOYSA-N
Boiling Point:	393.3 °C at 760 mmHg
Density:	1.632 g/cm³
MDL:	MFCD00037933
LogP:	2.85570

Publication Number	Title	Priority Date
CN-113040151-A	Application of alkaloid streptandole and derivatives thereof in preventing and treating plant virus and bacterial diseases	20191226
US-2020060952-A1	Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof	20180824
US-2019337927-A1	Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof	20180507
US-2019345140-A1	Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof	20180412
WO-2019046551-A1	THIOINDIRUBINES	20170901

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.97384
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7