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1736-72-7 | Thiourea, N-[4-(trifluoromethyl)phenyl]-
CAS No: 1736-72-7 Catalog No: AG001Z24 MDL No:MFCD00041189
Product Description
Catalog Number:
AG001Z24
Chemical Name:
Thiourea, N-[4-(trifluoromethyl)phenyl]-
CAS Number:
1736-72-7
Molecular Formula:
C8H7F3N2S
Molecular Weight:
220.2148
MDL Number:
MFCD00041189
IUPAC Name:
[4-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H7F3N2S/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChI Key:
OWTDDZMFRLUBQI-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.213g/mol
Monoisotopic Mass:
220.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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