3-(4-Chloro-3-indolyl)propanoic Acid - CAS 151590-27-1

Catalog:	BB010690
Product Name:	3-(4-Chloro-3-indolyl)propanoic Acid
CAS:	151590-27-1
Synonyms:	3-(4-chloro-1H-indol-3-yl)propanoic acid; 3-(4-chloro-1H-indol-3-yl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(4-chloro-1H-indol-3-yl)propanoic acid
Description:	3-(4-Chloro-3-indolyl)propanoic Acid (CAS# 151590-27-1 ) is a useful research chemical.
Molecular Weight:	223.66
Molecular Formula:	C11H10ClNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=CN2)CCC(=O)O
InChI:	InChI=1S/C11H10ClNO2/c12-8-2-1-3-9-11(8)7(6-13-9)4-5-10(14)15/h1-3,6,13H,4-5H2,(H,14,15)
InChI Key:	PAXWJSPBZACTSD-UHFFFAOYSA-N
LogP:	2.83850

Publication Number	Title	Priority Date
WO-2019183358-A2	Whole cell processes to produce nitroaromatics	20180321
US-2021108237-A1	Whole cell processes to produce nitroaromatics	20180321
US-2019292527-A1	Highly active self-sufficient nitration biocatalysts	20161026
EP-3038618-A1	Substituted indole mcl-1 inhibitors	20130828
US-10005728-B2	Substituted indole Mcl-1 inhibitors	20130828

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Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0400063
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4