3-(2-Bromophenyl)acrylic Acid - CAS 7499-56-1

Catalog:	BB035217
Product Name:	3-(2-Bromophenyl)acrylic Acid
CAS:	7499-56-1
Synonyms:	(E)-3-(2-bromophenyl)-2-propenoic acid; (E)-3-(2-bromophenyl)prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-(2-bromophenyl)prop-2-enoic acid
Description:	3-(2-Bromophenyl)acrylic Acid (CAS# 7499-56-1) is a compound useful in organic synthesis.
Molecular Weight:	227.05
Molecular Formula:	C9H7BrO2
Canonical SMILES:	C1=CC=C(C(=C1)C=CC(=O)O)Br
InChI:	InChI=1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChI Key:	OMHDOOAFLCMRFX-AATRIKPKSA-N
Boiling Point:	340 °C at 760 mmHg
Density:	1.607 g/cm³
LogP:	2.54690

Publication Number	Title	Priority Date
CN-111018735-A	Preparation method of cinnamamide	20191205
CN-111018735-B	Preparation method of cinnamamide compound	20191205
CN-112851622-A	Macrolide brefeldin A ester derivative and application thereof	20191128
WO-2021104529-A1	Macrolide brefeldin a ester derivative, and use	20191128
US-2021130365-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009

PMID	Publication Date	Title	Journal
15624946	20050107	Microwave-enhanced carbonylative generation of indanones and 3-acylaminoindanones	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	225.96294
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.96294
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5