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138506-69-1 | Phenol, 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-
CAS No: 138506-69-1 Catalog No: AG0019CB MDL No:
Product Description
Catalog Number:
AG0019CB
Chemical Name:
Phenol, 4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-
CAS Number:
138506-69-1
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
IUPAC Name:
4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenol
InChI:
InChI=1S/C8H5ClN2O2S/c9-7-8(11-14-10-7)13-6-3-1-5(12)2-4-6/h1-4,12H
InChI Key:
HPIWDRICEYUKBA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1nsnc1Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.65g/mol
Monoisotopic Mass:
227.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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