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Home > Nitro Compounds > 99758-88-0
99758-88-0 | Benzene, 1-(1,1-dimethylethyl)-2,5-dimethoxy-4-nitro-
CAS No: 99758-88-0 Catalog No: AG003X12 MDL No:
Product Description
Catalog Number:
AG003X12
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-2,5-dimethoxy-4-nitro-
CAS Number:
99758-88-0
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
1-tert-butyl-2,5-dimethoxy-4-nitrobenzene
InChI:
InChI=1S/C12H17NO4/c1-12(2,3)8-6-11(17-5)9(13(14)15)7-10(8)16-4/h6-7H,1-5H3
InChI Key:
JJFIHQDOWZMNSM-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1[N+](=O)[O-])OC)C(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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