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Home > Nitro Compounds > 99758-83-5
99758-83-5 | Benzene, 1-(1,1-dimethylethyl)-4-methoxy-3,5-dimethyl-2,6-dinitro-
CAS No: 99758-83-5 Catalog No: AG003W2Q MDL No:
Product Description
Catalog Number:
AG003W2Q
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-4-methoxy-3,5-dimethyl-2,6-dinitro-
CAS Number:
99758-83-5
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
1-tert-butyl-4-methoxy-3,5-dimethyl-2,6-dinitrobenzene
InChI:
InChI=1S/C13H18N2O5/c1-7-10(14(16)17)9(13(3,4)5)11(15(18)19)8(2)12(7)20-6/h1-6H3
InChI Key:
MZMDVPDZWDRCNR-UHFFFAOYSA-N
SMILES:
COc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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