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Home > Nitro Compounds > 99758-55-1
99758-55-1 | Benzene, 1-(1,1-dimethylethyl)-2,4-dimethoxy-3,5-dinitro-
CAS No: 99758-55-1 Catalog No: AG003WHD MDL No:
Product Description
Catalog Number:
AG003WHD
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-2,4-dimethoxy-3,5-dinitro-
CAS Number:
99758-55-1
Molecular Formula:
C12H16N2O6
Molecular Weight:
284.2652
IUPAC Name:
1-tert-butyl-2,4-dimethoxy-3,5-dinitrobenzene
InChI:
InChI=1S/C12H16N2O6/c1-12(2,3)7-6-8(13(15)16)11(20-5)9(14(17)18)10(7)19-4/h6H,1-5H3
InChI Key:
IZWCUASMAZGBOE-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
370
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:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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