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Home > Nitro Compounds > 1153-79-3
1153-79-3 | Methanone, (4-nitrophenyl)(2,4,6-trimethylphenyl)-
CAS No: 1153-79-3 Catalog No: AG000GLA MDL No:
Product Description
Catalog Number:
AG000GLA
Chemical Name:
Methanone, (4-nitrophenyl)(2,4,6-trimethylphenyl)-
CAS Number:
1153-79-3
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
(4-nitrophenyl)-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C16H15NO3/c1-10-8-11(2)15(12(3)9-10)16(18)13-4-6-14(7-5-13)17(19)20/h4-9H,1-3H3
InChI Key:
LPCIIXUTNSHHLF-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)cc(cc1C)C)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
31919
Properties
Complexity:
356
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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