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1140972-21-9

1140972-21-9 | Cyclopentanecarboxylic acid, 2-[[(4-fluorophenyl)methyl]amino]-, ethyl ester, (1S,2R)-

CAS No: 1140972-21-9 Catalog No: AG000AK1 MDL No:MFCD18651693

Product Description

Catalog Number:
AG000AK1
Chemical Name:
Cyclopentanecarboxylic acid, 2-[[(4-fluorophenyl)methyl]amino]-, ethyl ester, (1S,2R)-
CAS Number:
1140972-21-9
Molecular Formula:
C15H20FNO2
Molecular Weight:
265.3232
MDL Number:
MFCD18651693
IUPAC Name:
ethyl (1S,2R)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,2-5,10H2,1H3/t13-,14+/m0/s1
InChI Key:
JJZRERDJXSZNIT-UONOGXRCSA-N
SMILES:
CCOC(=O)[C@H]1CCC[C@H]1NCc1ccc(cc1)F

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
265.148g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.328g/mol
Monoisotopic Mass:
265.148g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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