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1228245-60-0 | 4-(4-Bromo-2-trifluoromethoxyphenyl)-thiosemicarbazide
CAS No: 1228245-60-0 Catalog No: AG01F7WV MDL No:MFCD18379864
Product Description
Catalog Number:
AG01F7WV
Chemical Name:
4-(4-Bromo-2-trifluoromethoxyphenyl)-thiosemicarbazide
CAS Number:
1228245-60-0
Molecular Formula:
C8H7BrF3N3OS
Molecular Weight:
330.1249
MDL Number:
MFCD18379864
IUPAC Name:
1-amino-3-[4-bromo-2-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H7BrF3N3OS/c9-4-1-2-5(14-7(17)15-13)6(3-4)16-8(10,11)12/h1-3H,13H2,(H2,14,15,17)
InChI Key:
OEHVTZPYTOAZSB-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1OC(F)(F)F)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.123g/mol
Monoisotopic Mass:
328.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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