Formula |
C18H23ClO2 |
IUPAC Name |
(8s,9s,13s,14s,17s)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular Mass |
306.827 g·mol−1 |
Heat of Formation |
-448.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.98 ± 1.08 D |
Volume |
363.9 Å 3 |
Surface Area |
302.59 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
-0.18 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (8s,9s,13s,14s,17s)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- 1-chloroestradiol
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CAS Number(s) |
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InChIKey |
CKBZCMHPOSSDAN-PEEYHIECSA-N |
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Links |
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Elements |
H
C
O
Cl
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