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1195-73-9 | 2,4(1H,3H)-Pyrimidinedione, 5-bromodihydro-6-hydroxy-5-methyl-
CAS No: 1195-73-9 Catalog No: AG000IWC MDL No:
Product Description
Catalog Number:
AG000IWC
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromodihydro-6-hydroxy-5-methyl-
CAS Number:
1195-73-9
Molecular Formula:
C5H7BrN2O3
Molecular Weight:
223.0247
IUPAC Name:
5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C5H7BrN2O3/c1-5(6)2(9)7-4(11)8-3(5)10/h2,9H,1H3,(H2,7,8,10,11)
InChI Key:
ZHSRDOVCKJIGBL-UHFFFAOYSA-N
SMILES:
O=C1NC(O)C(C(=O)N1)(C)Br
NSC Number:
244442
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.964g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.026g/mol
Monoisotopic Mass:
221.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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