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130129-58-7 | 4(3H)-Pyrimidinone, 5-chloro-6-ethyl-
CAS No: 130129-58-7 Catalog No: AG000U1W MDL No:MFCD11111141
Product Description
Catalog Number:
AG000U1W
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-6-ethyl-
CAS Number:
130129-58-7
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD11111141
IUPAC Name:
5-chloro-4-ethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7ClN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
InChI Key:
WCXWRFSKLBACLE-UHFFFAOYSA-N
SMILES:
CCc1nc[nH]c(=O)c1Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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