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128273-56-3 | Benzenemethanamine, 4-[(trifluoromethyl)thio]-
CAS No: 128273-56-3 Catalog No: AG000XXX MDL No:MFCD00190129
Product Description
Catalog Number:
AG000XXX
Chemical Name:
Benzenemethanamine, 4-[(trifluoromethyl)thio]-
CAS Number:
128273-56-3
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
MDL Number:
MFCD00190129
IUPAC Name:
[4-(trifluoromethylsulfanyl)phenyl]methanamine
InChI:
InChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChI Key:
LACURGWEZCFLBO-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.214g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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