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Home > Fluorides > 121794-07-8
121794-07-8 | Benzoic acid, 4-fluoro-, tricyclohexylstannyl ester
CAS No: 121794-07-8 Catalog No: AG00161W MDL No:
Product Description
Catalog Number:
AG00161W
Chemical Name:
Benzoic acid, 4-fluoro-, tricyclohexylstannyl ester
CAS Number:
121794-07-8
Molecular Formula:
C25H37FO2Sn
Molecular Weight:
507.2595
IUPAC Name:
tricyclohexylstannyl 4-fluorobenzoate
InChI:
InChI=1S/C7H5FO2.3C6H11.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10);3*1H,2-6H2;/q;;;;+1/p-1
InChI Key:
JGNKRUPOSZSWNF-UHFFFAOYSA-M
SMILES:
O=C(c1ccc(cc1)F)O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.18g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
507.277g/mol
Monoisotopic Mass:
508.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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