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Home > Fluorides > 147900-24-1
147900-24-1 | Androst-4-ene-3,6,17-trione, 19,19-difluoro- (9CI)
CAS No: 147900-24-1 Catalog No: AG001FA1 MDL No:
Product Description
Catalog Number:
AG001FA1
Chemical Name:
Androst-4-ene-3,6,17-trione, 19,19-difluoro- (9CI)
CAS Number:
147900-24-1
Molecular Formula:
C19H22F2O3
Molecular Weight:
336.3730
IUPAC Name:
(8S,9S,10S,13S,14S)-10-(difluoromethyl)-13-methyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
InChI:
InChI=1S/C19H22F2O3/c1-18-6-5-13-11(12(18)2-3-16(18)24)9-15(23)14-8-10(22)4-7-19(13,14)17(20)21/h8,11-13,17H,2-7,9H2,1H3/t11-,12-,13-,18-,19-/m0/s1
InChI Key:
RPFWDTPXBAMNKL-JDNLJYLZSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C(F)F
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
336.154g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.379g/mol
Monoisotopic Mass:
336.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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