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131964-85-7 | 2-Thiophenemethanol, 5-chloro-α-[[2-(dimethylamino)ethoxy]methyl]-, hydrochloride (1:1)
CAS No: 131964-85-7 Catalog No: AG000ZZG MDL No:
Product Description
Catalog Number:
AG000ZZG
Chemical Name:
2-Thiophenemethanol, 5-chloro-α-[[2-(dimethylamino)ethoxy]methyl]-, hydrochloride (1:1)
CAS Number:
131964-85-7
Molecular Formula:
C10H17Cl2NO2S
Molecular Weight:
286.2185
IUPAC Name:
1-(5-chlorothiophen-2-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
InChI:
InChI=1S/C10H16ClNO2S.ClH/c1-12(2)5-6-14-7-8(13)9-3-4-10(11)15-9;/h3-4,8,13H,5-7H2,1-2H3;1H
InChI Key:
LSPFWOCFFLTJQV-UHFFFAOYSA-N
SMILES:
OC(c1ccc(s1)Cl)COCCN(C)C.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.211g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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