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Home > Nitro Compounds > 100255-05-8
100255-05-8 | Benzene, 1,5-bis(1-methylethoxy)-2,4-dinitro-
CAS No: 100255-05-8 Catalog No: AG0001E6 MDL No:
Product Description
Catalog Number:
AG0001E6
Chemical Name:
Benzene, 1,5-bis(1-methylethoxy)-2,4-dinitro-
CAS Number:
100255-05-8
Molecular Formula:
C12H16N2O6
Molecular Weight:
284.2652
IUPAC Name:
1,5-dinitro-2,4-di(propan-2-yloxy)benzene
InChI:
InChI=1S/C12H16N2O6/c1-7(2)19-11-6-12(20-8(3)4)10(14(17)18)5-9(11)13(15)16/h5-8H,1-4H3
InChI Key:
ZNAVGLFYAVQMAI-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(OC(C)C)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.268g/mol
Monoisotopic Mass:
284.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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