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132719-64-3 | 2-Propanol, 1-[(5-chloro-3-thienyl)oxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1)
CAS No: 132719-64-3 Catalog No: AG00111C MDL No:
Product Description
Catalog Number:
AG00111C
Chemical Name:
2-Propanol, 1-[(5-chloro-3-thienyl)oxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1)
CAS Number:
132719-64-3
Molecular Formula:
C10H17Cl2NO2S
Molecular Weight:
286.2185
IUPAC Name:
1-(5-chlorothiophen-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI:
InChI=1S/C10H16ClNO2S.ClH/c1-7(2)12-4-8(13)5-14-9-3-10(11)15-6-9;/h3,6-8,12-13H,4-5H2,1-2H3;1H
InChI Key:
KDARAXIJQXFOPB-UHFFFAOYSA-N
SMILES:
OC(COc1csc(c1)Cl)CNC(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:
3
Isotope Atom Count:
0
Molecular Weight:
286.211g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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