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Home > Nitro Compounds > 19117-41-0

19117-41-0

19117-41-0 | Benzenesulfenamide, N-(1,1-dimethylethyl)-4-nitro-

CAS No: 19117-41-0 Catalog No: AG002F3J MDL No:

Product Description

Catalog Number:
AG002F3J
Chemical Name:
Benzenesulfenamide, N-(1,1-dimethylethyl)-4-nitro-
CAS Number:
19117-41-0
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
2-methyl-N-(4-nitrophenyl)sulfanylpropan-2-amine
InChI:
InChI=1S/C10H14N2O2S/c1-10(2,3)11-15-9-6-4-8(5-7-9)12(13)14/h4-7,11H,1-3H3
InChI Key:
BDBVKFPHPVYMJW-UHFFFAOYSA-N
SMILES:
CC(NSc1ccc(cc1)[N+](=O)[O-])(C)C

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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