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1649-24-7 | Androst-4-en-3-one, 2-fluoro-17-hydroxy-, (2α,17β)-
CAS No: 1649-24-7 Catalog No: AG001V4W MDL No:
Product Description
Catalog Number:
AG001V4W
Chemical Name:
Androst-4-en-3-one, 2-fluoro-17-hydroxy-, (2α,17β)-
CAS Number:
1649-24-7
Molecular Formula:
C19H27FO2
Molecular Weight:
306.4149
IUPAC Name:
2-fluoro-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C19H27FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h9,12-15,17,22H,3-8,10H2,1-2H3
InChI Key:
QRNFMYYNRYGOQD-UHFFFAOYSA-N
SMILES:
O=C1C=C2CC[C@@H]3[C@@H]([C@]2(C[C@H]1F)C)CC[C@]1([C@H]3CC[C@@H]1O)C
NSC Number:
41843
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.421g/mol
Monoisotopic Mass:
306.2g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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