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Home > Fluorides > 1247371-27-2
1247371-27-2 | 4-(4-Fluoro-3-trifluoromethylphenyl)-thiosemicarbazide
CAS No: 1247371-27-2 Catalog No: AG01F7X5 MDL No:MFCD14600406
Product Description
Catalog Number:
AG01F7X5
Chemical Name:
4-(4-Fluoro-3-trifluoromethylphenyl)-thiosemicarbazide
CAS Number:
1247371-27-2
Molecular Formula:
C8H7F4N3S
Molecular Weight:
253.2199
MDL Number:
MFCD14600406
IUPAC Name:
1-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H7F4N3S/c9-6-2-1-4(14-7(16)15-13)3-5(6)8(10,11)12/h1-3H,13H2,(H2,14,15,16)
InChI Key:
NELXAIRDCIUPNA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(c(c1)C(F)(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:
1.8
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