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14611-70-2 | Thiocyanic acid, 3,5-dichloro-4-hydroxyphenyl ester
CAS No: 14611-70-2 Catalog No: AG001DPA MDL No:
Product Description
Catalog Number:
AG001DPA
Chemical Name:
Thiocyanic acid, 3,5-dichloro-4-hydroxyphenyl ester
CAS Number:
14611-70-2
Molecular Formula:
C7H3Cl2NOS
Molecular Weight:
220.0758
IUPAC Name:
(3,5-dichloro-4-hydroxyphenyl) thiocyanate
InChI:
InChI=1S/C7H3Cl2NOS/c8-5-1-4(12-3-10)2-6(9)7(5)11/h1-2,11H
InChI Key:
WOXNPCZHWXVOKK-UHFFFAOYSA-N
SMILES:
N#CSc1cc(Cl)c(c(c1)Cl)O
EC Number:
238-648-3
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.067g/mol
Monoisotopic Mass:
218.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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