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93968-78-6 | 2-(2-BENZOTHIAZOLYLOXY)-ETHANOL
CAS No: 93968-78-6 Catalog No: AG00H6Q3 MDL No:
Product Description
Catalog Number:
AG00H6Q3
Chemical Name:
2-(2-BENZOTHIAZOLYLOXY)-ETHANOL
CAS Number:
93968-78-6
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
2-(1,3-benzothiazol-2-yloxy)ethanol
InChI:
InChI=1S/C9H9NO2S/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2
InChI Key:
YWCPLZMDFHCNRN-UHFFFAOYSA-N
SMILES:
OCCOc1nc2c(s1)cccc2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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