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-one

Molecular Formula

C18H21BrO2

Molecular Mass

349.26

Cite 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 2024-08-20) (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