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Home > Bromides > 1020720-09-5
1020720-09-5 | Benzene-1,2,3,4-d4, 5-bromo-6-nitro-
CAS No: 1020720-09-5 Catalog No: AG0006K5 MDL No:
Product Description
Catalog Number:
AG0006K5
Chemical Name:
Benzene-1,2,3,4-d4, 5-bromo-6-nitro-
CAS Number:
1020720-09-5
Molecular Formula:
C6BrD4NO2
Molecular Weight:
206.0301
IUPAC Name:
1-bromo-2,3,4,5-tetradeuterio-6-nitrobenzene
InChI:
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H/i1D,2D,3D,4D
InChI Key:
ORPVVAKYSXQCJI-RHQRLBAQSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[N+](=O)[O-])Br
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
206.031g/mol
Monoisotopic Mass:
204.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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