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126517-34-8 | Ethanamine, 2-[(2-chlorophenyl)(3-chlorophenyl)methoxy]-N,N-dimethyl-, ethanedioate (1:1)
CAS No: 126517-34-8 Catalog No: AG000SVL MDL No:
Product Description
Catalog Number:
AG000SVL
Chemical Name:
Ethanamine, 2-[(2-chlorophenyl)(3-chlorophenyl)methoxy]-N,N-dimethyl-, ethanedioate (1:1)
CAS Number:
126517-34-8
Molecular Formula:
C19H21Cl2NO5
Molecular Weight:
414.2797
IUPAC Name:
2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
InChI:
InChI=1S/C17H19Cl2NO.C2H2O4/c1-20(2)10-11-21-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;3-1(4)2(5)6/h3-9,12,17H,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
ORLRUAPABXOIPM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN(CCOC(c1ccccc1Cl)c1cccc(c1)Cl)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.08g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.279g/mol
Monoisotopic Mass:
413.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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