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1629-19-2 | Benzenecarbothioamide, 4-fluoro-N-phenyl-
CAS No: 1629-19-2 Catalog No: AG001TJE MDL No:
Product Description
Catalog Number:
AG001TJE
Chemical Name:
Benzenecarbothioamide, 4-fluoro-N-phenyl-
CAS Number:
1629-19-2
Molecular Formula:
C13H10FNS
Molecular Weight:
231.2886
IUPAC Name:
4-fluoro-N-phenylbenzenecarbothioamide
InChI:
InChI=1S/C13H10FNS/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChI Key:
LQKYDGGOSBFZDI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=S)Nc1ccccc1
NSC Number:
51896
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.288g/mol
Monoisotopic Mass:
231.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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