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Home > Nitro Compounds > 162954-42-9
162954-42-9 | Benzene, 1-[(1,1-dimethylethoxy)methyl]-4-nitro-
CAS No: 162954-42-9 Catalog No: AG001TKL MDL No:
Product Description
Catalog Number:
AG001TKL
Chemical Name:
Benzene, 1-[(1,1-dimethylethoxy)methyl]-4-nitro-
CAS Number:
162954-42-9
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-[(2-methylpropan-2-yl)oxymethyl]-4-nitrobenzene
InChI:
InChI=1S/C11H15NO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7H,8H2,1-3H3
InChI Key:
BRFYXVGVZPVEKE-UHFFFAOYSA-N
SMILES:
CC(OCc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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