Home Other Building Blocks (S)-ALPHA-(3-FLUOROBENZYL)-PROLINE-HCL

(S)-ALPHA-(3-FLUOROBENZYL)-PROLINE-HCL

CAS No.:
1217605-68-9
Catalog Number:
AG009G71
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
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Product Description
Catalog Number:
AG009G71
Chemical Name:
(S)-ALPHA-(3-FLUOROBENZYL)-PROLINE-HCL
CAS Number:
1217605-68-9
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
MDL Number:
MFCD06659156
IUPAC Name:
(2S)-2-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14FNO2.ClH/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12;/h1,3-4,7,14H,2,5-6,8H2,(H,15,16);1H/t12-;/m0./s1
InChI Key:
OVAOHJJHEPEUGP-YDALLXLXSA-N
SMILES:
Fc1cccc(c1)C[C@@]1(CCCN1)C(=O)O.Cl
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.705g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties