4-Bromo-5-methylindole-3-carboxylic Acid - CAS 1360902-85-7

Catalog:	BB008286
Product Name:	4-Bromo-5-methylindole-3-carboxylic Acid
CAS:	1360902-85-7
Synonyms:	4-bromo-5-methyl-1H-indole-3-carboxylic acid; 4-bromo-5-methyl-1H-indole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-5-methyl-1H-indole-3-carboxylic acid
Description:	4-Bromo-5-methylindole-3-carboxylic Acid (CAS# 1360902-85-7 ) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	CC1=C(C2=C(C=C1)NC=C2C(=O)O)Br
InChI:	InChI=1S/C10H8BrNO2/c1-5-2-3-7-8(9(5)11)6(4-12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:	BDTZHCABCBUMBI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3166940-A1	Quinuclidine compounds for modulating alpha7 -nicotinic acetylcholine receptor activity	20140711
JP-2017524736-A	Quinuclidine compounds for modulating alpha 7-nicotinic acetylcholine receptor activity	20140711
TW-201617342-A	Acridine which regulates Î±7 activity	20140711
US-2016009706-A1	Quinuclidines for modulating alpha 7 activity	20140711
US-2017166561-A1	Quinuclidine compounds for modulating alpha7-nicotinic acetylcholine receptor activity	20140711

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Complexity:	246
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6