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1263376-92-6 | 4-(2-Chloro-6-fluorophenyl)thiosemicarbazide
CAS No: 1263376-92-6 Catalog No: AG01FALS MDL No:MFCD18379861
Product Description
Catalog Number:
AG01FALS
Chemical Name:
4-(2-Chloro-6-fluorophenyl)thiosemicarbazide
CAS Number:
1263376-92-6
Molecular Formula:
C7H7ClFN3S
Molecular Weight:
219.6670
MDL Number:
MFCD18379861
IUPAC Name:
1-amino-3-(2-chloro-6-fluorophenyl)thiourea
InChI:
InChI=1S/C7H7ClFN3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key:
ITVRNBJQCFTFCI-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1c(F)cccc1Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.662g/mol
Monoisotopic Mass:
219.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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