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1353986-16-9 | 2-[(2,5-Dichloro-benzyl)-isopropyl-amino]-ethanol
CAS No: 1353986-16-9 Catalog No: AG01F9A5 MDL No:
Product Description
Catalog Number:
AG01F9A5
Chemical Name:
2-[(2,5-Dichloro-benzyl)-isopropyl-amino]-ethanol
CAS Number:
1353986-16-9
Molecular Formula:
C12H17Cl2NO
Molecular Weight:
262.1755
IUPAC Name:
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C12H17Cl2NO/c1-9(2)15(5-6-16)8-10-7-11(13)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3
InChI Key:
PZEWLEBCULMWNB-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1cc(Cl)ccc1Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.174g/mol
Monoisotopic Mass:
261.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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