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206559-47-9 | Thiourea, N-[2-bromo-5-(trifluoromethyl)phenyl]-
CAS No: 206559-47-9 Catalog No: AG002IK9 MDL No:MFCD00060427
Product Description
Catalog Number:
AG002IK9
Chemical Name:
Thiourea, N-[2-bromo-5-(trifluoromethyl)phenyl]-
CAS Number:
206559-47-9
Molecular Formula:
C8H6BrF3N2S
Molecular Weight:
299.1108
MDL Number:
MFCD00060427
IUPAC Name:
[2-bromo-5-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H6BrF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)
InChI Key:
GPEJRBGHBHVBON-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(ccc1Br)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.939g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.109g/mol
Monoisotopic Mass:
297.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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