Name: Name:(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid, E
Brand: Angene
SKU: AG01BXO9
Rating: 90 (10 reviews)

(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid, E

CAS No.:

111252-31-4

Catalog Number:

AG01BXO9

Molecular Formula:

C7H5BrO3

Molecular Weight:

217.0168

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Product Description

Catalog Number:

AG01BXO9

Chemical Name:

(2E)-3-(5-bromofuran-2-yl)prop-2-enoic acid, E

CAS Number:

111252-31-4

Molecular Formula:

C7H5BrO3

Molecular Weight:

217.0168

MDL Number:

MFCD02708232

IUPAC Name:

(E)-3-(5-bromofuran-2-yl)prop-2-enoic acid

InChI:

InChI=1S/C7H5BrO3/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H,9,10)/b4-2+

InChI Key:

IIMYTCICBUBFJH-DUXPYHPUSA-N

SMILES:

OC(=O)/C=C/c1ccc(o1)Br

Properties

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.018g/mol

Monoisotopic Mass:

215.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).	Bioorganic & medicinal chemistry letters 20110501

Properties