Thiocyanic acid, 4-amino-3-chlorophenyl ester


Chemical Name: Thiocyanic acid, 4-amino-3-chlorophenyl ester
CAS Number: 3226-47-9
Product Number: AG00C6V9(AGN-PC-0JTF3R)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2S
Molecular Weight: 184.6460

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
184.641g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
183.986g/mol
Monoisotopic Mass:
183.986g/mol
Topological Polar Surface Area:
75.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
177
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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