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Home > Nitro Compounds > 99758-80-2
99758-80-2 | Benzene, 1-(1,1-dimethylethyl)-5-methoxy-2,4-dinitro-
CAS No: 99758-80-2 Catalog No: AG003W2R MDL No:
Product Description
Catalog Number:
AG003W2R
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-5-methoxy-2,4-dinitro-
CAS Number:
99758-80-2
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
IUPAC Name:
1-tert-butyl-5-methoxy-2,4-dinitrobenzene
InChI:
InChI=1S/C11H14N2O5/c1-11(2,3)7-5-10(18-4)9(13(16)17)6-8(7)12(14)15/h5-6H,1-4H3
InChI Key:
DWSQGBIKUMFHRF-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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