81072-41-5
4,16A-DIBROMO ESTRONE
Name
4,16A-DIBROMO ESTRONE
pro_formula
C18 H20 Br2 O2
pro_molWeight
428.162
1Identification
【Name】
4,16A-DIBROMO ESTRONE
【CAS】
【MDL】
MFCD18252579
【EnglishSynonyms】
【pro_formula】
C18 H20 Br2 O2
【pro_molWeight】
428.162
【Inchi】
InChI=1S/C18H20Br2O2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,21H,2-3,6-8H2,1H3/t10-,11-,13+,14-,18+/m1/s1
【InChIKey】
InChIKey=WALNGSHUZXVAOU-BUSPIDHKSA-N
【SMILES】
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)Br)Br)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4,16A-DIBROMO ESTRONE.cml
quick_release
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