474625-93-9
1-[(4-BROMOPHENYL)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID
Name1-[(4-BROMOPHENYL)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
1-[(4-BROMOPHENYL)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01925606
【English Synonyms】
【Formula】
C12 H14 Br N O4 S
【MolWeight】
348.216
【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)
【InChIKey】
InChIKey=BFYXCFKAZNUOEO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1S(=O)(=O)N2CCCCC2C(=O)O)Br
【MOL File】
1-[(4-BROMOPHENYL)SU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(4-BROMOPHENYL)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID.cml