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16018-87-4 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-methyl-
CAS No: 16018-87-4 Catalog No: AG001RQO MDL No:MFCD00466419
Product Description
Catalog Number:
AG001RQO
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-methyl-
CAS Number:
16018-87-4
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD00466419
IUPAC Name:
5-chloro-6-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChI Key:
YFTMPDGCVOWZOZ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)[nH]c(=O)c1Cl
NSC Number:
26542
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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