Home Halogens 6-chloro-3-ethylpyriMidine-2,4(1H,3H)-dione

6-chloro-3-ethylpyriMidine-2,4(1H,3H)-dione

CAS No.:
50721-47-6
Catalog Number:
AG00DK1J
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG00DK1J
Chemical Name:
6-chloro-3-ethylpyriMidine-2,4(1H,3H)-dione
CAS Number:
50721-47-6
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD19288707
IUPAC Name:
6-chloro-3-ethyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H7ClN2O2/c1-2-9-5(10)3-4(7)8-6(9)11/h3H,2H2,1H3,(H,8,11)
InChI Key:
CDQGLIMPENHTQH-UHFFFAOYSA-N
SMILES:
CCn1c(=O)cc([nH]c1=O)Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties