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Home > Nitro Compounds > 2109-84-4
2109-84-4 | Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-nitro-
CAS No: 2109-84-4 Catalog No: AG002L2E MDL No:
Product Description
Catalog Number:
AG002L2E
Chemical Name:
Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-nitro-
CAS Number:
2109-84-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
1-(2-methylbut-3-yn-2-yloxy)-4-nitrobenzene
InChI:
InChI=1S/C11H11NO3/c1-4-11(2,3)15-10-7-5-9(6-8-10)12(13)14/h1,5-8H,2-3H3
InChI Key:
KUVSTBAMMGGNND-UHFFFAOYSA-N
SMILES:
C#CC(Oc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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