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1247659-17-1

1247659-17-1 | 4-(2,4-Difluorobenzyl)thiosemicarbazide

CAS No: 1247659-17-1 Catalog No: AG01FC93 MDL No:MFCD16695908

Product Description

Catalog Number:
AG01FC93
Chemical Name:
4-(2,4-Difluorobenzyl)thiosemicarbazide
CAS Number:
1247659-17-1
Molecular Formula:
C8H9F2N3S
Molecular Weight:
217.2390
MDL Number:
MFCD16695908
IUPAC Name:
1-amino-3-[(2,4-difluorophenyl)methyl]thiourea
InChI:
InChI=1S/C8H9F2N3S/c9-6-2-1-5(7(10)3-6)4-12-8(14)13-11/h1-3H,4,11H2,(H2,12,13,14)
InChI Key:
IZZMRTGCNKIVLR-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1ccc(cc1F)F

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
217.238g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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