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Home > Nitro Compounds > 801282-13-3
801282-13-3 | BENZENE, 1-(1,1-DIMETHYLETHOXY)-2-METHYL-3-NITRO-
CAS No: 801282-13-3 Catalog No: AG005ONS MDL No:
Product Description
Catalog Number:
AG005ONS
Chemical Name:
BENZENE, 1-(1,1-DIMETHYLETHOXY)-2-METHYL-3-NITRO-
CAS Number:
801282-13-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-methyl-1-[(2-methylpropan-2-yl)oxy]-3-nitrobenzene
InChI:
InChI=1S/C11H15NO3/c1-8-9(12(13)14)6-5-7-10(8)15-11(2,3)4/h5-7H,1-4H3
InChI Key:
UXXPIIRGSFKXHO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)OC(C)(C)C
Properties
Complexity:
229
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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