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Home > Fluorides > 1443323-52-1
1443323-52-1 | 3-Fluoro-4-[(4-ethylpiperazino)methyl]thiophenol
CAS No: 1443323-52-1 Catalog No: AG01F9KG MDL No:
Product Description
Catalog Number:
AG01F9KG
Chemical Name:
3-Fluoro-4-[(4-ethylpiperazino)methyl]thiophenol
CAS Number:
1443323-52-1
Molecular Formula:
C13H19FN2S
Molecular Weight:
254.3668
IUPAC Name:
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluorobenzenethiol
InChI:
InChI=1S/C13H19FN2S/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(17)9-13(11)14/h3-4,9,17H,2,5-8,10H2,1H3
InChI Key:
CQMWWYUFYHLYRG-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1ccc(cc1F)S
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.367g/mol
Monoisotopic Mass:
254.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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