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1289585-39-2 | Pyrrolidine, 3-[(3,4-dichlorophenyl)methoxy]-, hydrochloride (1:1), (3S)-
CAS No: 1289585-39-2 Catalog No: AG000YQ1 MDL No:MFCD18837203
Product Description
Catalog Number:
AG000YQ1
Chemical Name:
Pyrrolidine, 3-[(3,4-dichlorophenyl)methoxy]-, hydrochloride (1:1), (3S)-
CAS Number:
1289585-39-2
Molecular Formula:
C11H14Cl3NO
Molecular Weight:
282.5940
MDL Number:
MFCD18837203
IUPAC Name:
(3S)-3-[(3,4-dichlorophenyl)methoxy]pyrrolidine;hydrochloride
InChI:
InChI=1S/C11H13Cl2NO.ClH/c12-10-2-1-8(5-11(10)13)7-15-9-3-4-14-6-9;/h1-2,5,9,14H,3-4,6-7H2;1H/t9-;/m0./s1
InChI Key:
GMMIBHGNIHSRSY-FVGYRXGTSA-N
SMILES:
Clc1ccc(cc1Cl)CO[C@@H]1CNCC1.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.589g/mol
Monoisotopic Mass:
281.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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