Home Sulfos 4-(chlorosulfonyl)-1H-pyrrole-2-carboxylic acid

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

CAS No.:
1096910-97-2
Catalog Number:
AG019KL4
Molecular Formula:
C5H4ClNO4S
Molecular Weight:
209.6076
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Product Description
Catalog Number:
AG019KL4
Chemical Name:
4-(chlorosulfonyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
1096910-97-2
Molecular Formula:
C5H4ClNO4S
Molecular Weight:
209.6076
MDL Number:
MFCD13624217
IUPAC Name:
4-chlorosulfonyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4ClNO4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key:
ALUJALXDRRFASD-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c1)S(=O)(=O)Cl
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.955g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.6g/mol
Monoisotopic Mass:
208.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties