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1172895-27-0

1172895-27-0 | (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one

CAS No: 1172895-27-0 Catalog No: AG00JSM9 MDL No:MFCD16855126

Product Description

Catalog Number:
AG00JSM9
Chemical Name:
(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one
CAS Number:
1172895-27-0
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD16855126
IUPAC Name:
5-chloro-1-(3-fluorophenyl)-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H8ClFN2O/c1-7-10(6-16)11(12)15(14-7)9-4-2-3-8(13)5-9/h2-6H,1H3
InChI Key:
VTEVZGQHBRSTIX-UHFFFAOYSA-N
SMILES:
COCCN1C2CCC1CC(=O)C2

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.646g/mol
Monoisotopic Mass:
238.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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