Name: Name:5-(but-3-yn-1-ylsulfonyl)-2-fluorobenzoic acid
Brand: Angene
SKU: AG01DUYU
Rating: 90 (10 reviews)

5-(but-3-yn-1-ylsulfonyl)-2-fluorobenzoic acid

CAS No.:

1094238-45-5

Catalog Number:

AG01DUYU

Molecular Formula:

C11H9FO4S

Molecular Weight:

256.2502

Catalog Number:

AG01DUYU

Chemical Name:

5-(but-3-yn-1-ylsulfonyl)-2-fluorobenzoic acid

CAS Number:

1094238-45-5

Molecular Formula:

C11H9FO4S

Molecular Weight:

256.2502

MDL Number:

MFCD11179908

IUPAC Name:

5-but-3-ynylsulfonyl-2-fluorobenzoic acid

InChI:

InChI=1S/C11H9FO4S/c1-2-3-6-17(15,16)8-4-5-10(12)9(7-8)11(13)14/h1,4-5,7H,3,6H2,(H,13,14)

InChI Key:

KEHCXNKSINYSMC-UHFFFAOYSA-N

SMILES:

C#CCCS(=O)(=O)c1ccc(c(c1)C(=O)O)F

Complexity:

428

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.247g/mol

Monoisotopic Mass:

256.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4