Home Carboxys 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

CAS No.:
1026725-31-4
Catalog Number:
AG01EKBE
Molecular Formula:
C12H14FNO2
Molecular Weight:
223.2435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKBE
Chemical Name:
1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Number:
1026725-31-4
Molecular Formula:
C12H14FNO2
Molecular Weight:
223.2435
MDL Number:
MFCD08444785
IUPAC Name:
1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7-8H2,(H,15,16)
InChI Key:
HUJIRQKJJFAXHV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1Cc1ccc(cc1)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.247g/mol
Monoisotopic Mass:
223.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties