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Home > Bromides > 1221793-70-9
1221793-70-9 | Acetonitrile, 2-(2,6-dibromo-4-nitrophenoxy)-
CAS No: 1221793-70-9 Catalog No: AG0016VT MDL No:MFCD16036125
Product Description
Catalog Number:
AG0016VT
Chemical Name:
Acetonitrile, 2-(2,6-dibromo-4-nitrophenoxy)-
CAS Number:
1221793-70-9
Molecular Formula:
C8H4Br2N2O3
Molecular Weight:
335.9370
MDL Number:
MFCD16036125
IUPAC Name:
2-(2,6-dibromo-4-nitrophenoxy)acetonitrile
InChI:
InChI=1S/C8H4Br2N2O3/c9-6-3-5(12(13)14)4-7(10)8(6)15-2-1-11/h3-4H,2H2
InChI Key:
KNKHMLWAWGGBHX-UHFFFAOYSA-N
SMILES:
N#CCOc1c(Br)cc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.857g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.939g/mol
Monoisotopic Mass:
333.859g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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