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Amb10069304

Duplicate ID
CAS Number 1000018-36-9
Molecule Name 1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
1-[(5-BROMO-2-METHYL-4-METHYLSULFONYL)PHENYL]-PIPERIDINE-3-CARBOXYLIC ACID
SmilesOC(=O)C1CCCN(C1)c1cc(Br)c(cc1C)S(=O)(=O)C
InchiKeyQDVUIDMVPCVVGN-UHFFFAOYSA-N
InChi InChI=1S/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)
Formula C14H18BrNO4S
Molecular weight 376.266
Rings 2
logP 3.6078
PSA 83.06
MR 88.2298
Building Block
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