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Home > Fluorides > 1263377-11-2
1263377-11-2 | 3-Fluoro-5-trifluoromethylphenylthiourea
CAS No: 1263377-11-2 Catalog No: AG01FBXS MDL No:MFCD18379880
Product Description
Catalog Number:
AG01FBXS
Chemical Name:
3-Fluoro-5-trifluoromethylphenylthiourea
CAS Number:
1263377-11-2
Molecular Formula:
C8H6F4N2S
Molecular Weight:
238.2053
MDL Number:
MFCD18379880
IUPAC Name:
[3-fluoro-5-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H6F4N2S/c9-5-1-4(8(10,11)12)2-6(3-5)14-7(13)15/h1-3H,(H3,13,14,15)
InChI Key:
ZWSMGOOQVBUIQP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.204g/mol
Monoisotopic Mass:
238.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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