Name: Name:4-(chlorosulfonyl)-5-methyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01DVDE
Rating: 90 (10 reviews)

4-(chlorosulfonyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1486497-42-0

Catalog Number:

AG01DVDE

Molecular Formula:

C5H5ClN2O4S

Molecular Weight:

224.6222

Catalog Number:

AG01DVDE

Chemical Name:

4-(chlorosulfonyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1486497-42-0

Molecular Formula:

C5H5ClN2O4S

Molecular Weight:

224.6222

MDL Number:

MFCD16669784

IUPAC Name:

4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C5H5ClN2O4S/c1-2-4(13(6,11)12)3(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)

InChI Key:

ZALBGUDWOJPTJJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1n[nH]c(c1S(=O)(=O)Cl)C

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.966g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.615g/mol

Monoisotopic Mass:

223.966g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5