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1199-54-8 | 4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-2-(1-methylethyl)-
CAS No: 1199-54-8 Catalog No: AG000PUU MDL No:
Product Description
Catalog Number:
AG000PUU
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-6-hydroxy-2-(1-methylethyl)-
CAS Number:
1199-54-8
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
IUPAC Name:
5-chloro-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H9ClN2O2/c1-3(2)5-9-6(11)4(8)7(12)10-5/h3H,1-2H3,(H2,9,10,11,12)
InChI Key:
PGSGGZMWYMOBTR-UHFFFAOYSA-N
SMILES:
CC(c1nc(O)c(c(=O)[nH]1)Cl)C
NSC Number:
66918
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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