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79784-39-7 | 1,2,4-Triazine-3(2H)-thione, 5-(3-chloro-4-fluorophenyl)-
CAS No: 79784-39-7 Catalog No: AG005H91 MDL No:
Product Description
Catalog Number:
AG005H91
Chemical Name:
1,2,4-Triazine-3(2H)-thione, 5-(3-chloro-4-fluorophenyl)-
CAS Number:
79784-39-7
Molecular Formula:
C9H5ClFN3S
Molecular Weight:
241.6725
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-2H-1,2,4-triazine-3-thione
InChI:
InChI=1S/C9H5ClFN3S/c10-6-3-5(1-2-7(6)11)8-4-12-14-9(15)13-8/h1-4H,(H,13,14,15)
InChI Key:
BKYAEPKTGBDMSZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)c1cn[nH]c(=S)n1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.668g/mol
Monoisotopic Mass:
240.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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