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144208-23-1 | 1,3-Dioxane, 5-bromo-2-nitro-
CAS No: 144208-23-1 Catalog No: AG001J3Q MDL No:
Product Description
Catalog Number:
AG001J3Q
Chemical Name:
1,3-Dioxane, 5-bromo-2-nitro-
CAS Number:
144208-23-1
Molecular Formula:
C4H6BrNO4
Molecular Weight:
211.9987
IUPAC Name:
5-bromo-2-nitro-1,3-dioxane
InChI:
InChI=1S/C4H6BrNO4/c5-3-1-9-4(6(7)8)10-2-3/h3-4H,1-2H2
InChI Key:
HQUNRTKPVPUNTG-UHFFFAOYSA-N
SMILES:
BrC1COC(OC1)[N+](=O)[O-]
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.948g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.999g/mol
Monoisotopic Mass:
210.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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