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1263377-57-6 | 4-(2-Chloro-6-fluorobenzyl)thiosemicarbazide
CAS No: 1263377-57-6 Catalog No: AG01FALU MDL No:MFCD18379833
Product Description
Catalog Number:
AG01FALU
Chemical Name:
4-(2-Chloro-6-fluorobenzyl)thiosemicarbazide
CAS Number:
1263377-57-6
Molecular Formula:
C8H9ClFN3S
Molecular Weight:
233.6936
MDL Number:
MFCD18379833
IUPAC Name:
1-amino-3-[(2-chloro-6-fluorophenyl)methyl]thiourea
InChI:
InChI=1S/C8H9ClFN3S/c9-6-2-1-3-7(10)5(6)4-12-8(14)13-11/h1-3H,4,11H2,(H2,12,13,14)
InChI Key:
UNKOVSDXLCHTGN-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1c(F)cccc1Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.689g/mol
Monoisotopic Mass:
233.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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