3-(5-Bromo-3-indolyl)propanoic Acid - CAS 54904-23-3

Catalog:	BB028854
Product Name:	3-(5-Bromo-3-indolyl)propanoic Acid
CAS:	54904-23-3
Synonyms:	3-(5-bromo-1H-indol-3-yl)propanoic acid; 3-(5-bromo-1H-indol-3-yl)propanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(5-bromo-1H-indol-3-yl)propanoic acid
Description:	3-(5-Bromo-3-indolyl)propanoic Acid (CAS# 54904-23-3) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CN2)CCC(=O)O
InChI:	InChI=1S/C11H10BrNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
InChI Key:	DRCUGRYTGTWNRN-UHFFFAOYSA-N
Boiling Point:	467.5 °C at 760 mmHg
Density:	1.654 g/cm³
LogP:	2.94760

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.98949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	266.98949
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4