Home Other Building Blocks 2,5-Difluoro-4-thiocyanatoaniline

2,5-Difluoro-4-thiocyanatoaniline

CAS No.:
1150339-43-7
Catalog Number:
AG000FR2
Molecular Formula:
C7H4F2N2S
Molecular Weight:
186.1819
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Product Description
Catalog Number:
AG000FR2
Chemical Name:
2,5-Difluoro-4-thiocyanatoaniline
CAS Number:
1150339-43-7
Molecular Formula:
C7H4F2N2S
Molecular Weight:
186.1819
MDL Number:
MFCD29047001
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  
Properties