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1263376-45-9 | 2-Chloro-6-fluorobenzylthiourea
CAS No: 1263376-45-9 Catalog No: AG01FEUW MDL No:MFCD18379832
Product Description
Catalog Number:
AG01FEUW
Chemical Name:
2-Chloro-6-fluorobenzylthiourea
CAS Number:
1263376-45-9
Molecular Formula:
C8H8ClFN2S
Molecular Weight:
218.6789
MDL Number:
MFCD18379832
IUPAC Name:
(2-chloro-6-fluorophenyl)methylthiourea
InChI:
InChI=1S/C8H8ClFN2S/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChI Key:
PIEZEJZLHADDIX-UHFFFAOYSA-N
SMILES:
NC(=S)NCc1c(F)cccc1Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.674g/mol
Monoisotopic Mass:
218.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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