Home Sulfos benzyl 3-[(chlorosulfonyl)methyl]-4-methylpyrrolidine-1-carboxylate

benzyl 3-[(chlorosulfonyl)methyl]-4-methylpyrrolidine-1-carboxylate

CAS No.:
2126161-78-0
Catalog Number:
AG01EIWH
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
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Product Description
Catalog Number:
AG01EIWH
Chemical Name:
benzyl 3-[(chlorosulfonyl)methyl]-4-methylpyrrolidine-1-carboxylate
CAS Number:
2126161-78-0
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
MDL Number:
MFCD31381456
IUPAC Name:
benzyl 3-(chlorosulfonylmethyl)-4-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H18ClNO4S/c1-11-7-16(8-13(11)10-21(15,18)19)14(17)20-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChI Key:
BPOIWXIMEBTAMX-UHFFFAOYSA-N
SMILES:
CC1CN(CC1CS(=O)(=O)Cl)C(=O)OCc1ccccc1
Properties
Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.065g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.811g/mol
Monoisotopic Mass:
331.065g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties