Name: Name:2-(4-acetyl-3-fluorobenzenesulfonyl)acetic acid
Brand: Angene
SKU: AG01AID4
Rating: 90 (10 reviews)

2-(4-acetyl-3-fluorobenzenesulfonyl)acetic acid

CAS No.:

1311317-52-8

Catalog Number:

AG01AID4

Molecular Formula:

C10H9FO5S

Molecular Weight:

260.2389

Catalog Number:

AG01AID4

Chemical Name:

2-(4-acetyl-3-fluorobenzenesulfonyl)acetic acid

CAS Number:

1311317-52-8

Molecular Formula:

C10H9FO5S

Molecular Weight:

260.2389

MDL Number:

MFCD18917275

IUPAC Name:

2-(4-acetyl-3-fluorophenyl)sulfonylacetic acid

InChI:

InChI=1S/C10H9FO5S/c1-6(12)8-3-2-7(4-9(8)11)17(15,16)5-10(13)14/h2-4H,5H2,1H3,(H,13,14)

InChI Key:

FIZDULYEXVJKPG-UHFFFAOYSA-N

SMILES:

OC(=O)CS(=O)(=O)c1ccc(c(c1)F)C(=O)C

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.235g/mol

Monoisotopic Mass:

260.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5