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Home > Nitro Compounds > 7205-60-9

7205-60-9

7205-60-9 | Benzene, 1-(ethylthio)-4-nitro-

CAS No: 7205-60-9 Catalog No: AG005NMV MDL No:MFCD00460618

Product Description

Catalog Number:
AG005NMV
Chemical Name:
Benzene, 1-(ethylthio)-4-nitro-
CAS Number:
7205-60-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD00460618
IUPAC Name:
1-ethylsulfanyl-4-nitrobenzene
InChI:
InChI=1S/C8H9NO2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChI Key:
XXZUBAOBGOBJDT-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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