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Home > Nitro Compounds > 79657-84-4
79657-84-4 | Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-
CAS No: 79657-84-4 Catalog No: AG005INT MDL No:
Product Description
Catalog Number:
AG005INT
Chemical Name:
Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-
CAS Number:
79657-84-4
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
IUPAC Name:
2-tert-butyl-5-methoxy-1,3-dinitrobenzene
InChI:
InChI=1S/C11H14N2O5/c1-11(2,3)10-8(12(14)15)5-7(18-4)6-9(10)13(16)17/h5-6H,1-4H3
InChI Key:
RARYVSKIAWFBSD-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
304
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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