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Basic Information
CAS No.: 17183-98-1
Name: (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione
Molecular Structure:
Molecular Structure of 17183-98-1 ((1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione)
Formula: C24H30Cl2O4
Molecular Weight: 453.406
Synonyms: Pregna-4,6-diene-3,20-dione,6-chloro-1a-(chloromethyl)-17-hydroxy-,acetate (8CI);Pregna-4,6-diene-3,20-dione,17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1a)- (9CI);
EINECS: 605-617-4
Density: 1.27 g/cm3
Boiling Point: 554.4 °C at 760 mmHg
Flash Point: 181.7 °C
PSA: 60.44000
LogP: 5.21660
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Chemistry

Systematic Name: Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1alpha)-
CAS NO: 17183-98-1
Molecular Formula: C24H30Cl2O4
Molecular Weight: 453.40
Molecular Structure of (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione (CAS NO.17183-98-1):
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 60.44 Å2
Index of Refraction: 1.564
Molar Refractivity: 116.06 cm3
Molar Volume: 356.5 cm3
Surface Tension: 47.4 dyne/cm
Density: 1.27 g/cm3
Flash Point: 181.7 °C
Enthalpy of Vaporization: 83.54 kJ/mol
Boiling Point: 554.4 °C at 760 mmHg
Vapour Pressure: 2.49E-12 mmHg at 25 °C
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)CCl)Cl)C)OC(=O)C Copy
InChI: InChI=1/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1 Copy
InChIKey: MFEGXCLQSLHLPH-HAJWRMEIBL
Std. InChI: InChI=1S/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1 Copy
Std. InChIKey: MFEGXCLQSLHLPH-HAJWRMEISA-N

Specification

 Synonyms of (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione (CAS NO.17183-98-1) are (1alpha)-17-(Acetyloxy)-6-chloro-1-(chloromethyl)pregna-4,6-diene-3,20-dione ; 6-Chloro-1alpha-(chloromethyl)-17-hydroxypregna-4,6-diene-3,20-dione acetate ; Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1-(chloromethyl)-, (1a)- .