Home Nitros 1-[2-(methylsulfanyl)-5-nitrophenyl]ethan-1-one

1-[2-(methylsulfanyl)-5-nitrophenyl]ethan-1-one

CAS No.:
882257-23-0
Catalog Number:
AG01BTN7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BTN7
Chemical Name:
1-[2-(methylsulfanyl)-5-nitrophenyl]ethan-1-one
CAS Number:
882257-23-0
MDL Number:
MFCD01566453
IUPAC Name:
1-(2-methylsulfanyl-5-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO3S/c1-6(11)8-5-7(10(12)13)3-4-9(8)14-2/h3-5H,1-2H3
InChI Key:
JUSPIIZYFLLBBK-UHFFFAOYSA-N
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties