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22919-50-2 | 2,4(1H,3H)-Pyrimidinedione, 1-(3-bromopropyl)-5-methyl-
CAS No: 22919-50-2 Catalog No: AG002LIR MDL No:
Product Description
Catalog Number:
AG002LIR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(3-bromopropyl)-5-methyl-
CAS Number:
22919-50-2
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
IUPAC Name:
1-(3-bromopropyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C8H11BrN2O2/c1-6-5-11(4-2-3-9)8(13)10-7(6)12/h5H,2-4H2,1H3,(H,10,12,13)
InChI Key:
PKTVBCNBVGNGLG-UHFFFAOYSA-N
SMILES:
Cc1cn(CCCBr)c(=O)[nH]c1=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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