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Home > Fluorides > 1160058-86-5
1160058-86-5 | Benzenesulfonyl chloride, 4-[[4-(trifluoromethyl)-2-pyrimidinyl]oxy]-
CAS No: 1160058-86-5 Catalog No: AG000BCV MDL No:MFCD11109532
Product Description
Catalog Number:
AG000BCV
Chemical Name:
Benzenesulfonyl chloride, 4-[[4-(trifluoromethyl)-2-pyrimidinyl]oxy]-
CAS Number:
1160058-86-5
Molecular Formula:
C11H6ClF3N2O3S
Molecular Weight:
338.6901
MDL Number:
MFCD11109532
IUPAC Name:
4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzenesulfonyl chloride
InChI:
InChI=1S/C11H6ClF3N2O3S/c12-21(18,19)8-3-1-7(2-4-8)20-10-16-6-5-9(17-10)11(13,14)15/h1-6H
InChI Key:
SMDWXDCIMUGFNP-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(n1)Oc1ccc(cc1)S(=O)(=O)Cl)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.974g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.685g/mol
Monoisotopic Mass:
337.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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