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Home > Nitro Compounds > 713104-98-4
713104-98-4 | N-[2-(tert-butylsulfanyl)ethyl]-4-nitrobenzene-1-sulfonamide
CAS No: 713104-98-4 Catalog No: AG00IT9A MDL No:MFCD05670192
Product Description
Catalog Number:
AG00IT9A
Chemical Name:
N-[2-(tert-butylsulfanyl)ethyl]-4-nitrobenzene-1-sulfonamide
CAS Number:
713104-98-4
Molecular Formula:
C12H18N2O4S2
Molecular Weight:
318.4123
MDL Number:
MFCD05670192
IUPAC Name:
N-(2-tert-butylsulfanylethyl)-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C12H18N2O4S2/c1-12(2,3)19-9-8-13-20(17,18)11-6-4-10(5-7-11)14(15)16/h4-7,13H,8-9H2,1-3H3
InChI Key:
SJFCCBUVKYFKGY-UHFFFAOYSA-N
SMILES:
CC(SCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.406g/mol
Monoisotopic Mass:
318.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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