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101221-50-5 | Ethanol, 2-[[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]methylamino]-
CAS No: 101221-50-5 Catalog No: AG0003ZJ MDL No:
Product Description
Catalog Number:
AG0003ZJ
Chemical Name:
Ethanol, 2-[[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]methylamino]-
CAS Number:
101221-50-5
Molecular Formula:
C12H15Cl2NO3
Molecular Weight:
292.1584
IUPAC Name:
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]ethanol
InChI:
InChI=1S/C12H16ClNO3/c1-14(4-5-15)7-10-8-16-12-6-9(13)2-3-11(12)17-10/h2-3,6,10,15H,4-5,7-8H2,1H3
InChI Key:
HXVNNXBRPPAVDN-UHFFFAOYSA-N
SMILES:
CN(CCO)CC1COc2c(O1)cc(c(c2)Cl)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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