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Home > Nitro Compounds > 1157542-16-9
1157542-16-9 | N-[3-(methylsulfanyl)propyl]-2-nitroaniline
CAS No: 1157542-16-9 Catalog No: AG01AZ96 MDL No:MFCD12037830
Product Description
Catalog Number:
AG01AZ96
Chemical Name:
N-[3-(methylsulfanyl)propyl]-2-nitroaniline
CAS Number:
1157542-16-9
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD12037830
IUPAC Name:
N-(3-methylsulfanylpropyl)-2-nitroaniline
InChI:
InChI=1S/C10H14N2O2S/c1-15-8-4-7-11-9-5-2-3-6-10(9)12(13)14/h2-3,5-6,11H,4,7-8H2,1H3
InChI Key:
FUNHEKRYRHNLDY-UHFFFAOYSA-N
SMILES:
CSCCCNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
196
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:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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