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Home > Fluorides > 1263376-54-0
1263376-54-0 | 4-(4-Trifluoromethoxybenzyl)thiosemicarbazide
CAS No: 1263376-54-0 Catalog No: AG01FAAB MDL No:MFCD18379878
Product Description
Catalog Number:
AG01FAAB
Chemical Name:
4-(4-Trifluoromethoxybenzyl)thiosemicarbazide
CAS Number:
1263376-54-0
Molecular Formula:
C9H10F3N3OS
Molecular Weight:
265.2554
MDL Number:
MFCD18379878
IUPAC Name:
1-amino-3-[[4-(trifluoromethoxy)phenyl]methyl]thiourea
InChI:
InChI=1S/C9H10F3N3OS/c10-9(11,12)16-7-3-1-6(2-4-7)5-14-8(17)15-13/h1-4H,5,13H2,(H2,14,15,17)
InChI Key:
TXXWOXLMCGLVCB-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.254g/mol
Monoisotopic Mass:
265.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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