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Home > Fluorides > 168828-70-4
168828-70-4 | Thiomorpholine, 4-(2-fluoro-4-nitrophenyl)-
CAS No: 168828-70-4 Catalog No: AG001YB9 MDL No:MFCD11039549
Product Description
Catalog Number:
AG001YB9
Chemical Name:
Thiomorpholine, 4-(2-fluoro-4-nitrophenyl)-
CAS Number:
168828-70-4
Molecular Formula:
C10H11FN2O2S
Molecular Weight:
242.2699
MDL Number:
MFCD11039549
IUPAC Name:
4-(2-fluoro-4-nitrophenyl)thiomorpholine
InChI:
InChI=1S/C10H11FN2O2S/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChI Key:
PUZPGWLYSCSDBO-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1N1CCSCC1)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.268g/mol
Monoisotopic Mass:
242.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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