2alpha-Chloro-3-[(4-nitrophenoxy)imino]-5alpha-androstan-17-one
Basic information
- CAS
51354-33-7- Standard SMILES
C[C@]12C[C@@H](Cl)C(=NOc3ccc([N+](=O)[O-])cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
UNMQXMIMWRFADJ-BREUYADASA-N- Molecular formula
- C25H31ClN2O4
- Average molar mass
- 459 g/mol
- Monoisotopic mass
- 458.1972352
Names & identifiers
- Preferred name
- 2alpha-Chloro-3-[(4-nitrophenoxy)imino]-5alpha-androstan-17-one
- IUPAC
- (2R,5S,8R,9S,10S,13S,14S)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Names & synonyms
2alpha-Chloro-3-[(4-nitrophenoxy)imino]-5alpha-androstan-17-one51354-33-7MX3C7BKF4JDB-239740Androstane-3,17-dione, 2-chloro-, 3-[O-(4-nitrophenyl)oxime], (2alpha,5alpha)-(2R,5S,8R,9S,10S,13S,14S)-2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Database identifiers
- CAS
51354-33-7- PubChem CID
- 39992
- UNII
- MX3C7BKF4J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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