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1353981-56-2 | 2-(2,5-Dichloro-benzylamino)-ethanol
CAS No: 1353981-56-2 Catalog No: AG01FDIN MDL No:
Product Description
Catalog Number:
AG01FDIN
Chemical Name:
2-(2,5-Dichloro-benzylamino)-ethanol
CAS Number:
1353981-56-2
Molecular Formula:
C9H11Cl2NO
Molecular Weight:
220.0957
IUPAC Name:
2-[(2,5-dichlorophenyl)methylamino]ethanol
InChI:
InChI=1S/C9H11Cl2NO/c10-8-1-2-9(11)7(5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChI Key:
XSTDAPDANPWBFW-UHFFFAOYSA-N
SMILES:
OCCNCc1cc(Cl)ccc1Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.093g/mol
Monoisotopic Mass:
219.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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