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15893-96-6 | Benzene, 1-[[(chloromethyl)sulfonyl]methyl]-3-(trifluoromethyl)-
CAS No: 15893-96-6 Catalog No: AG001R0M MDL No:
Product Description
Catalog Number:
AG001R0M
Chemical Name:
Benzene, 1-[[(chloromethyl)sulfonyl]methyl]-3-(trifluoromethyl)-
CAS Number:
15893-96-6
Molecular Formula:
C9H8ClF3O2S
Molecular Weight:
272.6718
IUPAC Name:
1-(chloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8ClF3O2S/c10-6-16(14,15)5-7-2-1-3-8(4-7)9(11,12)13/h1-4H,5-6H2
InChI Key:
PBIGNZVNPUGUGQ-UHFFFAOYSA-N
SMILES:
ClCS(=O)(=O)Cc1cccc(c1)C(F)(F)F
NSC Number:
135360
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.666g/mol
Monoisotopic Mass:
271.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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