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Home > Fluorides > 202074-35-9
202074-35-9 | 3-Butene-2,2-diol, 1,1,1-trifluoro-4-(phenylsulfonyl)-
CAS No: 202074-35-9 Catalog No: AG002811 MDL No:
Product Description
Catalog Number:
AG002811
Chemical Name:
3-Butene-2,2-diol, 1,1,1-trifluoro-4-(phenylsulfonyl)-
CAS Number:
202074-35-9
Molecular Formula:
C10H9F3O4S
Molecular Weight:
282.2363
IUPAC Name:
4-(benzenesulfonyl)-1,1,1-trifluorobut-3-ene-2,2-diol
InChI:
InChI=1S/C10H9F3O4S/c11-10(12,13)9(14,15)6-7-18(16,17)8-4-2-1-3-5-8/h1-7,14-15H
InChI Key:
BGEZDULKRPRIDI-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C=CS(=O)(=O)c1ccccc1)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.233g/mol
Monoisotopic Mass:
282.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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