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1217651-48-3 | D-Proline, 2-[(2-fluorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217651-48-3 Catalog No: AG0015UP MDL No:MFCD06659154
Product Description
Catalog Number:
AG0015UP
Chemical Name:
D-Proline, 2-[(2-fluorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217651-48-3
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
MDL Number:
MFCD06659154
IUPAC Name:
(2S)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14FNO2.ClH/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12;/h1-2,4-5,14H,3,6-8H2,(H,15,16);1H/t12-;/m0./s1
InChI Key:
FRZTWNHRSHWUGF-YDALLXLXSA-N
SMILES:
OC(=O)[C@]1(CCCN1)Cc1ccccc1F.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
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