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1417789-77-5 | Pyrrolidine, 3-[(2-methoxyphenyl)thio]-, hydrochloride (1:1), (3R)-
CAS No: 1417789-77-5 Catalog No: AG001H2D MDL No:MFCD22631711
Product Description
Catalog Number:
AG001H2D
Chemical Name:
Pyrrolidine, 3-[(2-methoxyphenyl)thio]-, hydrochloride (1:1), (3R)-
CAS Number:
1417789-77-5
Molecular Formula:
C11H16ClNOS
Molecular Weight:
245.7688
MDL Number:
MFCD22631711
IUPAC Name:
(3R)-3-(2-methoxyphenyl)sulfanylpyrrolidine;hydrochloride
InChI:
InChI=1S/C11H15NOS.ClH/c1-13-10-4-2-3-5-11(10)14-9-6-7-12-8-9;/h2-5,9,12H,6-8H2,1H3;1H/t9-;/m1./s1
InChI Key:
QMLWHIICMWHHCW-SBSPUUFOSA-N
SMILES:
COc1ccccc1S[C@H]1CNCC1.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.765g/mol
Monoisotopic Mass:
245.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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