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1247157-27-2 | 2-[(2,4-Dichloro-benzyl)-ethyl-amino]-ethanol
CAS No: 1247157-27-2 Catalog No: AG01FA9N MDL No:
Product Description
Catalog Number:
AG01FA9N
Chemical Name:
2-[(2,4-Dichloro-benzyl)-ethyl-amino]-ethanol
CAS Number:
1247157-27-2
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
IUPAC Name:
2-[(2,4-dichlorophenyl)methyl-ethylamino]ethanol
InChI:
InChI=1S/C11H15Cl2NO/c1-2-14(5-6-15)8-9-3-4-10(12)7-11(9)13/h3-4,7,15H,2,5-6,8H2,1H3
InChI Key:
PZUFDKUNDXBXTP-UHFFFAOYSA-N
SMILES:
OCCN(Cc1ccc(cc1Cl)Cl)CC
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.147g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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