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52516-13-9 | 2,4-Dichlorophenethylamine
CAS No: 52516-13-9 Catalog No: AG003FRG MDL No:MFCD00060611
Product Description
Catalog Number:
AG003FRG
Chemical Name:
2,4-Dichlorophenethylamine
CAS Number:
52516-13-9
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
MDL Number:
MFCD00060611
IUPAC Name:
2-(2,4-dichlorophenyl)ethanamine
InChI:
InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChI Key:
VHJKDOLGYMULOP-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1Cl)Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.067g/mol
Monoisotopic Mass:
189.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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