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Home > Fluorides > 130890-90-3
130890-90-3 | Benzene, 1-fluoro-3-[(phenylsulfonyl)methyl]-
CAS No: 130890-90-3 Catalog No: AG000V2Z MDL No:
Product Description
Catalog Number:
AG000V2Z
Chemical Name:
Benzene, 1-fluoro-3-[(phenylsulfonyl)methyl]-
CAS Number:
130890-90-3
Molecular Formula:
C13H11FO2S
Molecular Weight:
250.2886
IUPAC Name:
1-(benzenesulfonylmethyl)-3-fluorobenzene
InChI:
InChI=1S/C13H11FO2S/c14-12-6-4-5-11(9-12)10-17(15,16)13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
CACVEVLNZGOKML-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CS(=O)(=O)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.287g/mol
Monoisotopic Mass:
250.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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