Home Sulfos 1-((4-Bromophenyl)sulfonyl)piperidine-2-carboxylic acid

1-((4-Bromophenyl)sulfonyl)piperidine-2-carboxylic acid

CAS No.:
474625-93-9
Catalog Number:
AG00I8NG
Molecular Formula:
C12H14BrNO4S
Molecular Weight:
348.2129
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Product Description
Catalog Number:
AG00I8NG
Chemical Name:
1-((4-Bromophenyl)sulfonyl)piperidine-2-carboxylic acid
CAS Number:
474625-93-9
Molecular Formula:
C12H14BrNO4S
Molecular Weight:
348.2129
MDL Number:
MFCD01925606
IUPAC Name:
1-(4-bromophenyl)sulfonylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C12H14BrNO4S/c13-9-4-6-10(7-5-9)19(17,18)14-8-2-1-3-11(14)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChI Key:
BFYXCFKAZNUOEO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.983g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.211g/mol
Monoisotopic Mass:
346.983g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties