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Home > Nitro Compounds > 1354949-59-9
1354949-59-9 | 2-(tert-butoxy)-5-nitrobenzene-1-sulfonyl chloride
CAS No: 1354949-59-9 Catalog No: AG019QIP MDL No:MFCD20233670
Product Description
Catalog Number:
AG019QIP
Chemical Name:
2-(tert-butoxy)-5-nitrobenzene-1-sulfonyl chloride
CAS Number:
1354949-59-9
Molecular Formula:
C10H12ClNO5S
Molecular Weight:
293.7240
MDL Number:
MFCD20233670
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C10H12ClNO5S/c1-10(2,3)17-8-5-4-7(12(13)14)6-9(8)18(11,15)16/h4-6H,1-3H3
InChI Key:
PFSMSHIHPYVJEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)Cl)OC(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.718g/mol
Monoisotopic Mass:
293.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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