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89466-52-4 | 5-chloro-6-ethylpyrimidine-2,4(1h,3h)-dione
CAS No: 89466-52-4 Catalog No: AG0042AI MDL No:
Product Description
Catalog Number:
AG0042AI
Chemical Name:
5-chloro-6-ethylpyrimidine-2,4(1h,3h)-dione
CAS Number:
89466-52-4
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
5-chloro-6-ethyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H7ClN2O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2H2,1H3,(H2,8,9,10,11)
InChI Key:
DPRBRTSBQKTHJV-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(=O)[nH]c(=O)c1Cl
NSC Number:
58562
Properties
Complexity:
247
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:
2
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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