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127627-50-3 | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-propyl-, methyl ester, [1R-(exo,exo)]- (9CI)
CAS No: 127627-50-3 Catalog No: AG000X83 MDL No:
Product Description
Catalog Number:
AG000X83
Chemical Name:
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-propyl-, methyl ester, [1R-(exo,exo)]- (9CI)
CAS Number:
127627-50-3
Molecular Formula:
C18H24FNO2
Molecular Weight:
305.3871
IUPAC Name:
methyl (1R)-3-(4-fluorophenyl)-8-propyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChI:
InChI=1S/C18H24FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h4-7,14-17H,3,8-11H2,1-2H3/t14?,15?,16-,17?/m1/s1
InChI Key:
IHPBQKOISFWYGD-ONNPGMOUSA-N
SMILES:
CCCN1C2CC[C@@H]1C(C(C2)c1ccc(cc1)F)C(=O)OC
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.393g/mol
Monoisotopic Mass:
305.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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