Name: Name:4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG019LD0
Rating: 90 (10 reviews)

4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:

1000932-01-3

Catalog Number:

AG019LD0

Molecular Formula:

C6H6ClNO4S

Molecular Weight:

223.6341

Catalog Number:

AG019LD0

Chemical Name:

4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

CAS Number:

1000932-01-3

Molecular Formula:

C6H6ClNO4S

Molecular Weight:

223.6341

MDL Number:

MFCD09863423

IUPAC Name:

4-chlorosulfonyl-1-methylpyrrole-2-carboxylic acid

InChI:

InChI=1S/C6H6ClNO4S/c1-8-3-4(13(7,11)12)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)

InChI Key:

POMZQIUIOJIHIN-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cn1C)S(=O)(=O)Cl

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.627g/mol

Monoisotopic Mass:

222.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5