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Home > Nitro Compounds > 33528-13-1
33528-13-1 | N-BENZYL-N-NITROSO-P-TOLUENESULFONAMIDE
CAS No: 33528-13-1 Catalog No: AG003SS9 MDL No:MFCD00216617
Product Description
Catalog Number:
AG003SS9
Chemical Name:
N-BENZYL-N-NITROSO-P-TOLUENESULFONAMIDE
CAS Number:
33528-13-1
Molecular Formula:
C14H14N2O3S
Molecular Weight:
290.3376
MDL Number:
MFCD00216617
IUPAC Name:
N-benzyl-4-methyl-N-nitrosobenzenesulfonamide
InChI:
InChI=1S/C14H14N2O3S/c1-12-7-9-14(10-8-12)20(18,19)16(15-17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
ZXELPGWSCCGNDS-UHFFFAOYSA-N
SMILES:
O=NN(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.337g/mol
Monoisotopic Mass:
290.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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