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Home >> Chemical Listing >> Page 821 >> 2,4-Dibromoestradiol

2,4-Dibromoestradiol
[CAS# 19590-55-7]

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Identification
Name 2,4-Dibromoestradiol
Synonyms Estra-1,3,5(10)-Triene-3,17.Beta.-Diol, 2,4-Dibromo-; Nsc103054; Nci60_000083
Molecular Structure CAS#: 19590-55-7, 2,4-Dibromoestradiol
Molecular Formula C18H22Br2O2
Molecular Weight 430.18
CAS Registry Number 19590-55-7
SMILES C1=C(Br)C(=C(C4=C1C3C(C2C(C(O)CC2)(C)CC3)CC4)Br)O
InChI 1S/C18H22Br2O2/c1-18-7-6-9-10(13(18)4-5-15(18)21)2-3-11-12(9)8-14(19)17(22)16(11)20/h8-10,13,15,21-22H,2-7H2,1H3
InChIKey UTXNYGUZJLLOSP-UHFFFAOYSA-N
Properties
Density 1.623g/cm3 (Cal.)
Boiling point 454.793°C at 760 mmHg (Cal.)
Flash point 228.851°C (Cal.)
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