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Home > Fluorides > 1443355-29-0
1443355-29-0 | 3-Fluoro-4-[(4-methylpiperazino)methyl]thiophenol
CAS No: 1443355-29-0 Catalog No: AG01F9CO MDL No:
Product Description
Catalog Number:
AG01F9CO
Chemical Name:
3-Fluoro-4-[(4-methylpiperazino)methyl]thiophenol
CAS Number:
1443355-29-0
Molecular Formula:
C12H17FN2S
Molecular Weight:
240.3402
IUPAC Name:
3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]benzenethiol
InChI:
InChI=1S/C12H17FN2S/c1-14-4-6-15(7-5-14)9-10-2-3-11(16)8-12(10)13/h2-3,8,16H,4-7,9H2,1H3
InChI Key:
DWESFNATAXRJIY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1F)S
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.34g/mol
Monoisotopic Mass:
240.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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