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Home > Bromides > 1303993-78-3
1303993-78-3 | 4-(2,4-Dibromo-6-trifluoromethoxyphenyl)-thiosemicarbazide
CAS No: 1303993-78-3 Catalog No: AG01F71R MDL No:MFCD18379892
Product Description
Catalog Number:
AG01F71R
Chemical Name:
4-(2,4-Dibromo-6-trifluoromethoxyphenyl)-thiosemicarbazide
CAS Number:
1303993-78-3
Molecular Formula:
C8H6Br2F3N3OS
Molecular Weight:
409.0209
MDL Number:
MFCD18379892
IUPAC Name:
1-amino-3-[2,4-dibromo-6-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H6Br2F3N3OS/c9-3-1-4(10)6(15-7(18)16-14)5(2-3)17-8(11,12)13/h1-2H,14H2,(H2,15,16,18)
InChI Key:
GTKKYWOEPOAQHA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1c(Br)cc(cc1OC(F)(F)F)Br
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.853g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.019g/mol
Monoisotopic Mass:
406.855g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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