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92163-78-5

92163-78-5 | 1-[3-NITRO-4-(PHENYLTHIO)PHENYL]ETHAN-1-ONE

CAS No: 92163-78-5 Catalog No: AG006GQ8 MDL No:MFCD00122624

Product Description

Catalog Number:
AG006GQ8
Chemical Name:
1-[3-NITRO-4-(PHENYLTHIO)PHENYL]ETHAN-1-ONE
CAS Number:
92163-78-5
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
MDL Number:
MFCD00122624
IUPAC Name:
1-(3-nitro-4-phenylsulfanylphenyl)ethanone
InChI:
InChI=1S/C14H11NO3S/c1-10(16)11-7-8-14(13(9-11)15(17)18)19-12-5-3-2-4-6-12/h2-9H,1H3
InChI Key:
JGCWPFNPSPTELC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1ccccc1)C(=O)C

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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