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Home > Fluorides > 1303994-06-0
1303994-06-0 | 4-(2-Fluoro-5-trifluoromethylphenyl)-thiosemicarbazide
CAS No: 1303994-06-0 Catalog No: AG01F7YB MDL No:MFCD17282415
Product Description
Catalog Number:
AG01F7YB
Chemical Name:
4-(2-Fluoro-5-trifluoromethylphenyl)-thiosemicarbazide
CAS Number:
1303994-06-0
Molecular Formula:
C8H7F4N3S
Molecular Weight:
253.2199
MDL Number:
MFCD17282415
IUPAC Name:
1-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H7F4N3S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(16)15-13/h1-3H,13H2,(H2,14,15,16)
InChI Key:
KWNZINGIWXHGFQ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(ccc1F)C(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.219g/mol
Monoisotopic Mass:
253.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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