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Home > Nitro Compounds > 833-64-7
833-64-7 | 1,3-Dioxane, 2-(4-nitrophenyl)-
CAS No: 833-64-7 Catalog No: AG004W5H MDL No:MFCD00101341
Product Description
Catalog Number:
AG004W5H
Chemical Name:
1,3-Dioxane, 2-(4-nitrophenyl)-
CAS Number:
833-64-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00101341
IUPAC Name:
2-(4-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C10H11NO4/c12-11(13)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h2-5,10H,1,6-7H2
InChI Key:
BNIKCZNNRBDPAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OCCCO1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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