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Home > Fluorides > 1152549-22-8
1152549-22-8 | 4-(3-Trifluoromethoxyphenyl)thiosemicarbazide
CAS No: 1152549-22-8 Catalog No: AG01FA88 MDL No:MFCD10688783
Product Description
Catalog Number:
AG01FA88
Chemical Name:
4-(3-Trifluoromethoxyphenyl)thiosemicarbazide
CAS Number:
1152549-22-8
Molecular Formula:
C8H8F3N3OS
Molecular Weight:
251.2288
MDL Number:
MFCD10688783
IUPAC Name:
1-amino-3-[3-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H8F3N3OS/c9-8(10,11)15-6-3-1-2-5(4-6)13-7(16)14-12/h1-4H,12H2,(H2,13,14,16)
InChI Key:
YZRDHAMTLGOOIA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1)OC(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.227g/mol
Monoisotopic Mass:
251.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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