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1164136-21-3 | (S)-Methyl 1-((3-chlorophenyl)sulfonyl)pyrrolidine-2-carboxylate
CAS No: 1164136-21-3 Catalog No: AG01FLXL MDL No:MFCD07433679
Product Description
Catalog Number:
AG01FLXL
Chemical Name:
(S)-Methyl 1-((3-chlorophenyl)sulfonyl)pyrrolidine-2-carboxylate
CAS Number:
1164136-21-3
Molecular Formula:
C11H12ClNO4S
Molecular Weight:
289.7353
MDL Number:
MFCD07433679
IUPAC Name:
1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChI Key:
CXDCZBNJZWAXSZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1cccc(c1)Cl
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.73g/mol
Monoisotopic Mass:
289.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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