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Home > Fluorides > 122130-87-4
122130-87-4 | Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro-
CAS No: 122130-87-4 Catalog No: AG0016UC MDL No:
Product Description
Catalog Number:
AG0016UC
Chemical Name:
Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro-
CAS Number:
122130-87-4
Molecular Formula:
C11H14F3NO2S
Molecular Weight:
281.2946
IUPAC Name:
N-(4-tert-butylphenyl)-1,1,1-trifluoromethanesulfonamide
InChI:
InChI=1S/C11H14F3NO2S/c1-10(2,3)8-4-6-9(7-5-8)15-18(16,17)11(12,13)14/h4-7,15H,1-3H3
InChI Key:
RQXNBEXGKODZLP-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Nc1ccc(cc1)C(C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.293g/mol
Monoisotopic Mass:
281.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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