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1373232-67-7 | 1H-Pyrrole, 1,2-bis(methylsulfonyl)-
CAS No: 1373232-67-7 Catalog No: AG00134K MDL No:MFCD22192476
Product Description
Catalog Number:
AG00134K
Chemical Name:
1H-Pyrrole, 1,2-bis(methylsulfonyl)-
CAS Number:
1373232-67-7
Molecular Formula:
C6H9NO4S2
Molecular Weight:
223.2700
MDL Number:
MFCD22192476
IUPAC Name:
1,2-bis(methylsulfonyl)pyrrole
InChI:
InChI=1S/C6H9NO4S2/c1-12(8,9)6-4-3-5-7(6)13(2,10)11/h3-5H,1-2H3
InChI Key:
HAUAALUFGLQWEB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)n1cccc1S(=O)(=O)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.261g/mol
Monoisotopic Mass:
222.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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