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306936-53-8 | 1H-Pyrrole-2-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, methyl ester
CAS No: 306936-53-8 Catalog No: AG0030XL MDL No:MFCD02180789
Product Description
Catalog Number:
AG0030XL
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, methyl ester
CAS Number:
306936-53-8
Molecular Formula:
C7H8ClNO4S
Molecular Weight:
237.6607
MDL Number:
MFCD02180789
IUPAC Name:
methyl 5-chlorosulfonyl-1-methylpyrrole-2-carboxylate
InChI:
InChI=1S/C7H8ClNO4S/c1-9-5(7(10)13-2)3-4-6(9)14(8,11)12/h3-4H,1-2H3
InChI Key:
AKPDQZQBPBSNPS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(n1C)S(=O)(=O)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.654g/mol
Monoisotopic Mass:
236.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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