Home Sulfos benzyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate

benzyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate

CAS No.:
242459-80-9
Catalog Number:
AG01AIMT
Molecular Formula:
C13H16ClNO4S
Molecular Weight:
317.7884
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Product Description
Catalog Number:
AG01AIMT
Chemical Name:
benzyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate
CAS Number:
242459-80-9
Molecular Formula:
C13H16ClNO4S
Molecular Weight:
317.7884
MDL Number:
MFCD21647133
IUPAC Name:
benzyl 3-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H16ClNO4S/c14-20(17,18)10-12-6-7-15(8-12)13(16)19-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
MRLVZWQKSRFTLG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)CS(=O)(=O)Cl)OCc1ccccc1
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.049g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.784g/mol
Monoisotopic Mass:
317.049g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties