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Home > Nitro Compounds > 7498-52-4
7498-52-4 | 1-(2,4,6-TRIMETHYL-3,5-DINITRO-PHENYL)ETHANONE
CAS No: 7498-52-4 Catalog No: AG0057GP MDL No:
Product Description
Catalog Number:
AG0057GP
Chemical Name:
1-(2,4,6-TRIMETHYL-3,5-DINITRO-PHENYL)ETHANONE
CAS Number:
7498-52-4
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
1-(2,4,6-trimethyl-3,5-dinitrophenyl)ethanone
InChI:
InChI=1S/C11H12N2O5/c1-5-9(8(4)14)6(2)11(13(17)18)7(3)10(5)12(15)16/h1-4H3
InChI Key:
COUIEMPOPBDWSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C)[N+](=O)[O-])C
NSC Number:
407550
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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