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Home > Nitro Compounds > 1153-77-1

1153-77-1

1153-77-1 | Methanone, (3-nitrophenyl)(2,4,6-trimethylphenyl)-

CAS No: 1153-77-1 Catalog No: AG000GLB MDL No:

Product Description

Catalog Number:
AG000GLB
Chemical Name:
Methanone, (3-nitrophenyl)(2,4,6-trimethylphenyl)-
CAS Number:
1153-77-1
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
(3-nitrophenyl)-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C16H15NO3/c1-10-7-11(2)15(12(3)8-10)16(18)13-5-4-6-14(9-13)17(19)20/h4-9H,1-3H3
InChI Key:
YLCUFELXVUALEV-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)c1cccc(c1)[N+](=O)[O-]

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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