4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one
CAS Registry Number®
1630-82-6
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CAS Name
4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-oneMolecular Formula
C18H21BrO2Molecular Mass
349.26Cite this Page
4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1630-82-6 (retrieved ) (CAS RN: 1630-82-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
264-265 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C18H21BrO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
InChIKey
InChIKey=NQFVJAYQCZUYON-QDTBLXIISA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(Br)C(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]
Canonical SMILES
O=C1CCC2C3CCC4=C(Br)C(O)=CC=C4C3CCC12C
Other Names for this Substance
- Estra-1,3,5(10)-trien-17-one, 4-bromo-3-hydroxy-
- 4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one
- 4-Bromoestrone