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1249381-35-8 | 4-(4-Chloro-3-fluorophenyl)thiosemicarbazide
CAS No: 1249381-35-8 Catalog No: AG01FALH MDL No:MFCD14673455
Product Description
Catalog Number:
AG01FALH
Chemical Name:
4-(4-Chloro-3-fluorophenyl)thiosemicarbazide
CAS Number:
1249381-35-8
Molecular Formula:
C7H7ClFN3S
Molecular Weight:
219.6670
MDL Number:
MFCD14673455
IUPAC Name:
1-amino-3-(4-chloro-3-fluorophenyl)thiourea
InChI:
InChI=1S/C7H7ClFN3S/c8-5-2-1-4(3-6(5)9)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key:
SYXUDOBRVUKUOV-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(c(c1)F)Cl
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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