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5-(Chloromethyl)uracil

CAS No.:
3590-48-5
Catalog Number:
AG003M76
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
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Product Description
Catalog Number:
AG003M76
Chemical Name:
5-(Chloromethyl)uracil
CAS Number:
3590-48-5
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00218445
IUPAC Name:
5-(chloromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5ClN2O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1H2,(H2,7,8,9,10)
InChI Key:
UCDUBKRXOPMNGH-UHFFFAOYSA-N
SMILES:
ClCc1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Synthesis of various 5-alkoxymethyluracil analogues and structure-cytotoxic activity relationship study. Carbohydrate research 20111018
Properties