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Home > Bromides > 1476076-44-4
1476076-44-4 | Pyrimidine-4,6-d2, 5-bromo-2-methyl-
CAS No: 1476076-44-4 Catalog No: AG001F08 MDL No:
Product Description
Catalog Number:
AG001F08
Chemical Name:
Pyrimidine-4,6-d2, 5-bromo-2-methyl-
CAS Number:
1476076-44-4
Molecular Formula:
C5H3BrD2N2
Molecular Weight:
175.0229
IUPAC Name:
5-bromo-4,6-dideuterio-2-methylpyrimidine
InChI:
InChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3/i2D,3D
InChI Key:
NEDJTEXNSTUKHW-PBNXXWCMSA-N
SMILES:
Brc1c([2H])nc(nc1[2H])C
Properties
Complexity:
68.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.976g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
175.025g/mol
Monoisotopic Mass:
173.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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