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86944-44-7 | Acetic acid, 2-chloro-,2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-1,6-dihydro-6-oxo-4-pyrimidinyl]-2-oxoethylester
CAS No: 86944-44-7 Catalog No: AG004OAF MDL No:
Product Description
Catalog Number:
AG004OAF
Chemical Name:
Acetic acid, 2-chloro-,2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-1,6-dihydro-6-oxo-4-pyrimidinyl]-2-oxoethylester
CAS Number:
86944-44-7
Molecular Formula:
C13H16ClN3O5
Molecular Weight:
329.7362
IUPAC Name:
[2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]-2-oxoethyl] 2-chloroacetate
InChI:
InChI=1S/C13H16ClN3O5/c1-13(2,3)11(21)17-12-15-7(4-9(19)16-12)8(18)6-22-10(20)5-14/h4H,5-6H2,1-3H3,(H2,15,16,17,19,21)
InChI Key:
SPXCCFSOZRFBFM-UHFFFAOYSA-N
SMILES:
ClCC(=O)OCC(=O)c1[nH]c(nc(=O)c1)NC(=O)C(C)(C)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.737g/mol
Monoisotopic Mass:
329.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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