Home Halogens 5-bromo-2-cyclobutyl-3,4-dihydropyrimidin-4-one

5-bromo-2-cyclobutyl-3,4-dihydropyrimidin-4-one

CAS No.:
1522311-88-1
Catalog Number:
AG01C7NN
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
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Product Description
Catalog Number:
AG01C7NN
Chemical Name:
5-bromo-2-cyclobutyl-3,4-dihydropyrimidin-4-one
CAS Number:
1522311-88-1
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
MDL Number:
MFCD21742987
IUPAC Name:
5-bromo-2-cyclobutyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H9BrN2O/c9-6-4-10-7(11-8(6)12)5-2-1-3-5/h4-5H,1-3H2,(H,10,11,12)
InChI Key:
YQLDUMQAQMZKNF-UHFFFAOYSA-N
SMILES:
Brc1cnc([nH]c1=O)C1CCC1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties