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1217613-78-9 | D-Proline, 2-[(4-iodophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217613-78-9 Catalog No: AG0015UH MDL No:MFCD06796819
Product Description
Catalog Number:
AG0015UH
Chemical Name:
D-Proline, 2-[(4-iodophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217613-78-9
Molecular Formula:
C12H15ClINO2
Molecular Weight:
367.6105
MDL Number:
MFCD06796819
IUPAC Name:
(2S)-2-[(4-iodophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14INO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m0./s1
InChI Key:
INTFYFSQQIYZNP-YDALLXLXSA-N
SMILES:
Ic1ccc(cc1)C[C@@]1(CCCN1)C(=O)O.Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
367.611g/mol
Monoisotopic Mass:
366.984g/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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