Home Halogens 2,5-dichloro-3,4-dihydropyrimidin-4-one

2,5-dichloro-3,4-dihydropyrimidin-4-one

CAS No.:
169557-02-2
Catalog Number:
AG01BEGB
Molecular Formula:
C4H2Cl2N2O
Molecular Weight:
164.9775
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Product Description
Catalog Number:
AG01BEGB
Chemical Name:
2,5-dichloro-3,4-dihydropyrimidin-4-one
CAS Number:
169557-02-2
Molecular Formula:
C4H2Cl2N2O
Molecular Weight:
164.9775
MDL Number:
MFCD27945954
IUPAC Name:
2,5-dichloro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H2Cl2N2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)
InChI Key:
BFXPUIUKFVPUKI-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(=O)[nH]1)Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.954g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.973g/mol
Monoisotopic Mass:
163.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties