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Home > Fluorides > 1275711-70-0
1275711-70-0 | N-{2-[(4-fluorophenyl)sulfanyl]ethyl}aniline
CAS No: 1275711-70-0 Catalog No: AG019RZZ MDL No:MFCD17293712
Product Description
Catalog Number:
AG019RZZ
Chemical Name:
N-{2-[(4-fluorophenyl)sulfanyl]ethyl}aniline
CAS Number:
1275711-70-0
Molecular Formula:
C14H14FNS
Molecular Weight:
247.3311
MDL Number:
MFCD17293712
IUPAC Name:
N-[2-(4-fluorophenyl)sulfanylethyl]aniline
InChI:
InChI=1S/C14H14FNS/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChI Key:
FBPGBNZQLHKKLS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCCNc1ccccc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.331g/mol
Monoisotopic Mass:
247.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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