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1263377-49-6 | 4-(2-Chloro-3-fluorophenyl)thiosemicarbazide
CAS No: 1263377-49-6 Catalog No: AG01FALT MDL No:MFCD18379898
Product Description
Catalog Number:
AG01FALT
Chemical Name:
4-(2-Chloro-3-fluorophenyl)thiosemicarbazide
CAS Number:
1263377-49-6
Molecular Formula:
C7H7ClFN3S
Molecular Weight:
219.6670
MDL Number:
MFCD18379898
IUPAC Name:
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
InChI:
InChI=1S/C7H7ClFN3S/c8-6-4(9)2-1-3-5(6)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key:
CJCITUDKQJPHDM-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1Cl)F
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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