Home Other Building Blocks 3-BENZYL-6-CHLORO-1H-PYRIMIDINE-2,4-DIONE

3-BENZYL-6-CHLORO-1H-PYRIMIDINE-2,4-DIONE

CAS No.:
5759-76-2
Catalog Number:
AG01EL8N
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
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Product Description
Catalog Number:
AG01EL8N
Chemical Name:
3-BENZYL-6-CHLORO-1H-PYRIMIDINE-2,4-DIONE
CAS Number:
5759-76-2
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD04030741
IUPAC Name:
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H9ClN2O2/c12-9-6-10(15)14(11(16)13-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
InChI Key:
HVFWAEIVJCCLQR-UHFFFAOYSA-N
SMILES:
Clc1cc(=O)n(c(=O)[nH]1)Cc1ccccc1
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties