478-83-1

Name Ergoline-8-carboxylic acid, 2-bromo-9,10-didehydro-6-methyl-, (8β)-
CAS 478-83-1
Molecular Formula C16H15BrN2O2
Molecular Weight 347.21
MOL File 478-83-1.mol
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Chemical Properties

Boiling point  579.0±50.0 °C(Predicted)
density  1.69±0.1 g/cm3(Predicted)
pka 2.98±0.20(Predicted)
InChI InChI=1/C16H15BrN2O2/c1-19-7-8(16(20)21)5-10-9-3-2-4-12-14(9)11(6-13(10)19)15(17)18-12/h2-5,8,13,18H,6-7H2,1H3,(H,20,21)/t8-,13-/s3
InChIKey IPSOSLBLNUSDJQ-IJNSUFHQNA-N
SMILES BrC1NC2=CC=CC3C4=C[C@@H](C(=O)O)CN(C)[C@]4([H])CC=1C2=3 |&1:10,17,r|

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