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1150339-43-7 | Thiocyanic acid, 4-amino-2,5-difluorophenyl ester
CAS No: 1150339-43-7 Catalog No: AG000FR2 MDL No:
Product Description
Catalog Number:
AG000FR2
Chemical Name:
Thiocyanic acid, 4-amino-2,5-difluorophenyl ester
CAS Number:
1150339-43-7
Molecular Formula:
C7H4F2N2S
Molecular Weight:
186.1819
IUPAC Name:
(4-amino-2,5-difluorophenyl) thiocyanate
InChI:
InChI=1S/C7H4F2N2S/c8-4-2-7(12-3-10)5(9)1-6(4)11/h1-2H,11H2
InChI Key:
IIXFODCKUSJSHK-UHFFFAOYSA-N
SMILES:
N#CSc1cc(F)c(cc1F)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.18g/mol
Monoisotopic Mass:
186.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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