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1197-32-6 | 4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-2-(hydroxymethyl)-
CAS No: 1197-32-6 Catalog No: AG000PGQ MDL No:
Product Description
Catalog Number:
AG000PGQ
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-2-(hydroxymethyl)-
CAS Number:
1197-32-6
Molecular Formula:
C5H5ClN2O3
Molecular Weight:
176.5578
IUPAC Name:
5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5ClN2O3/c6-3-4(10)7-2(1-9)8-5(3)11/h9H,1H2,(H2,7,8,10,11)
InChI Key:
BZEAETLGGDEKKE-UHFFFAOYSA-N
SMILES:
OCc1nc(O)c(c(=O)[nH]1)Cl
NSC Number:
31714
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.556g/mol
Monoisotopic Mass:
175.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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