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1353986-21-6 | 2-[Cyclopropyl-(2,5-dichloro-benzyl)-amino]-ethanol
CAS No: 1353986-21-6 Catalog No: AG01F8S6 MDL No:
Product Description
Catalog Number:
AG01F8S6
Chemical Name:
2-[Cyclopropyl-(2,5-dichloro-benzyl)-amino]-ethanol
CAS Number:
1353986-21-6
Molecular Formula:
C12H15Cl2NO
Molecular Weight:
260.1596
IUPAC Name:
2-[cyclopropyl-[(2,5-dichlorophenyl)methyl]amino]ethanol
InChI:
InChI=1S/C12H15Cl2NO/c13-10-1-4-12(14)9(7-10)8-15(5-6-16)11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2
InChI Key:
XEYPIKAHCPFJMT-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1cc(Cl)ccc1Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.158g/mol
Monoisotopic Mass:
259.053g/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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