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782413-10-9 | Benzenethiol,4-amino-2,5-difluoro-
CAS No: 782413-10-9 Catalog No: AG005CH6 MDL No:
Product Description
Catalog Number:
AG005CH6
Chemical Name:
Benzenethiol,4-amino-2,5-difluoro-
CAS Number:
782413-10-9
Molecular Formula:
C6H5F2NS
Molecular Weight:
161.1724
IUPAC Name:
4-amino-2,5-difluorobenzenethiol
InChI:
InChI=1S/C6H5F2NS/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2
InChI Key:
NTBYZZYNYYIGOX-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(cc1F)S
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.17g/mol
Monoisotopic Mass:
161.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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