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Home > Nitro Compounds > 83747-12-0
83747-12-0 | Benzene, 1-(1,1-dimethylethoxy)-2-nitro-
CAS No: 83747-12-0 Catalog No: AG004X14 MDL No:MFCD09909350
Product Description
Catalog Number:
AG004X14
Chemical Name:
Benzene, 1-(1,1-dimethylethoxy)-2-nitro-
CAS Number:
83747-12-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD09909350
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)14-9-7-5-4-6-8(9)11(12)13/h4-7H,1-3H3
InChI Key:
FKHYLJDIYZVNQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OC(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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