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Home > Nitro Compounds > 122149-93-3
122149-93-3 | Benzenesulfenamide, N-(1,1-dimethylethyl)-2-nitro-
CAS No: 122149-93-3 Catalog No: AG0016V1 MDL No:
Product Description
Catalog Number:
AG0016V1
Chemical Name:
Benzenesulfenamide, N-(1,1-dimethylethyl)-2-nitro-
CAS Number:
122149-93-3
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
N-tert-butylsulfanyl-2-nitroaniline
InChI:
InChI=1S/C10H14N2O2S/c1-10(2,3)15-11-8-6-4-5-7-9(8)12(13)14/h4-7,11H,1-3H3
InChI Key:
UQEDSBAKCOMAEH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1SNC(C)(C)C
Properties
Complexity:
222
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:
3.6
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