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Amb1001818

Duplicate ID
Molecule Name 5-(3-bromobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SmilesS=C1NC(=O)C(=Cc2cccc(c2)Br)C(=O)N1
Cas Number
InchiKeyMFHMNRMQYBRGGP-UHFFFAOYSA-N
InChi InChI=1S/C11H7BrN2O2S/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
Formula C11H7BrN2O2S
Molecular weight 311.154
Rings 2
logP 2.021
PSA 90.29
MR 78.1644
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