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Home > Bromides > 1303993-76-1
1303993-76-1 | (2,4-Dibromo-6-trifluoromethoxy-phenyl)-thiourea
CAS No: 1303993-76-1 Catalog No: AG01ES06 MDL No:MFCD18379891
Product Description
Catalog Number:
AG01ES06
Chemical Name:
(2,4-Dibromo-6-trifluoromethoxy-phenyl)-thiourea
CAS Number:
1303993-76-1
Molecular Formula:
C8H5Br2F3N2OS
Molecular Weight:
394.0063
MDL Number:
MFCD18379891
IUPAC Name:
[2,4-dibromo-6-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H5Br2F3N2OS/c9-3-1-4(10)6(15-7(14)17)5(2-3)16-8(11,12)13/h1-2H,(H3,14,15,17)
InChI Key:
XCTZHIPSTAOPNG-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c(cc(cc1Br)Br)OC(F)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.842g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.004g/mol
Monoisotopic Mass:
391.844g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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