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1247905-10-7 | 4-Chloro-3-fluorophenylthiourea
CAS No: 1247905-10-7 Catalog No: AG01FEUK MDL No:MFCD14673415
Product Description
Catalog Number:
AG01FEUK
Chemical Name:
4-Chloro-3-fluorophenylthiourea
CAS Number:
1247905-10-7
Molecular Formula:
C7H6ClFN2S
Molecular Weight:
204.6523
MDL Number:
MFCD14673415
IUPAC Name:
(4-chloro-3-fluorophenyl)thiourea
InChI:
InChI=1S/C7H6ClFN2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:
BFVDZZVSLKLGJE-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)F)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.647g/mol
Monoisotopic Mass:
203.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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