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3-methyl-1-(pentafluorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:
1497248-57-3
Catalog Number:
AG01EKIN
Molecular Formula:
C12H10F5NO2
Molecular Weight:
295.2053
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Product Description
Catalog Number:
AG01EKIN
Chemical Name:
3-methyl-1-(pentafluorophenyl)pyrrolidine-3-carboxylic acid
CAS Number:
1497248-57-3
Molecular Formula:
C12H10F5NO2
Molecular Weight:
295.2053
MDL Number:
MFCD31667124
IUPAC Name:
3-methyl-1-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H10F5NO2/c1-12(11(19)20)2-3-18(4-12)10-8(16)6(14)5(13)7(15)9(10)17/h2-4H2,1H3,(H,19,20)
InChI Key:
YZYHAHZYFHKETG-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCN(C1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.063g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.209g/mol
Monoisotopic Mass:
295.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties