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1197-31-5 | 4(3H)-Pyrimidinone, 5-chloro-2-ethyl-6-hydroxy-
CAS No: 1197-31-5 Catalog No: AG000PGR MDL No:
Product Description
Catalog Number:
AG000PGR
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-2-ethyl-6-hydroxy-
CAS Number:
1197-31-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
5-chloro-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7ClN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChI Key:
ZZGRDDIINJOLCK-UHFFFAOYSA-N
SMILES:
CCc1nc(O)c(c(=O)[nH]1)Cl
NSC Number:
67801
Properties
Complexity:
257
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:
3
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:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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