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1514061-21-2

1514061-21-2 | 5-iodo-6-(2-methylpropyl)-3,4-dihydropyrimidin-4-one

CAS No: 1514061-21-2 Catalog No: AG01BEI2 MDL No:MFCD23898349

Product Description

Catalog Number:
AG01BEI2
Chemical Name:
5-iodo-6-(2-methylpropyl)-3,4-dihydropyrimidin-4-one
CAS Number:
1514061-21-2
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD23898349
IUPAC Name:
5-iodo-4-(2-methylpropyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H11IN2O/c1-5(2)3-6-7(9)8(12)11-4-10-6/h4-5H,3H2,1-2H3,(H,10,11,12)
InChI Key:
VIFQJUUQBTYHDW-UHFFFAOYSA-N
SMILES:
CC(Cc1nc[nH]c(=O)c1I)C

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.093g/mol
Monoisotopic Mass:
277.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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