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Home > Fluorides > 175277-17-5
175277-17-5 | Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 175277-17-5 Catalog No: AG0020SD MDL No:MFCD00041172
Product Description
Catalog Number:
AG0020SD
Chemical Name:
Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
175277-17-5
Molecular Formula:
C9H6F6N2S
Molecular Weight:
288.2128
MDL Number:
MFCD00041172
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)
InChI Key:
CWRWOECVPKDZIC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.211g/mol
Monoisotopic Mass:
288.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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