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129400-04-0 | Androst-4-en-17-one, 19,19-difluoro- (9CI)
CAS No: 129400-04-0 Catalog No: AG000Z4F MDL No:
Product Description
Catalog Number:
AG000Z4F
Chemical Name:
Androst-4-en-17-one, 19,19-difluoro- (9CI)
CAS Number:
129400-04-0
Molecular Formula:
C19H26F2O
Molecular Weight:
308.4059
IUPAC Name:
(8S,9S,10S,13S,14S)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H26F2O/c1-18-11-9-15-13(14(18)7-8-16(18)22)6-5-12-4-2-3-10-19(12,15)17(20)21/h4,13-15,17H,2-3,5-11H2,1H3/t13-,14-,15-,18-,19+/m0/s1
InChI Key:
KMFWEHJTLFYKGK-UNTXSKPGSA-N
SMILES:
FC([C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)F
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
308.195g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.413g/mol
Monoisotopic Mass:
308.195g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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