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1367905-95-0 | Pyrimidine, 4-bromo-6-(methylsulfonyl)-
CAS No: 1367905-95-0 Catalog No: AG0012D5 MDL No:
Product Description
Catalog Number:
AG0012D5
Chemical Name:
Pyrimidine, 4-bromo-6-(methylsulfonyl)-
CAS Number:
1367905-95-0
Molecular Formula:
C5H5BrN2O2S
Molecular Weight:
237.0744
IUPAC Name:
4-bromo-6-methylsulfonylpyrimidine
InChI:
InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-2-4(6)7-3-8-5/h2-3H,1H3
InChI Key:
RZHPRCNPVYBPQA-UHFFFAOYSA-N
SMILES:
Brc1ncnc(c1)S(=O)(=O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.926g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.071g/mol
Monoisotopic Mass:
235.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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