Name: Name:4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzoic acid
Brand: Angene
SKU: AG019NA6
Rating: 90 (10 reviews)

4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzoic acid

CAS No.:

1016705-48-8

Catalog Number:

AG019NA6

Molecular Formula:

C13H11BrO4S

Molecular Weight:

343.1930

Catalog Number:

AG019NA6

Chemical Name:

4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzoic acid

CAS Number:

1016705-48-8

Molecular Formula:

C13H11BrO4S

Molecular Weight:

343.1930

MDL Number:

MFCD09929546

IUPAC Name:

4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzoic acid

InChI:

InChI=1S/C13H11BrO4S/c1-17-11-6-8(13(15)16)2-4-10(11)18-7-9-3-5-12(14)19-9/h2-6H,7H2,1H3,(H,15,16)

InChI Key:

GJPTXIFDAOSQGJ-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OCc1ccc(s1)Br)C(=O)O

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

341.956g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

343.191g/mol

Monoisotopic Mass:

341.956g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6