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89380-01-8 | N-(4-CHLORO-1-METHYL-2,6-DIOXO-3H-PYRIMIDIN-5-YL)FORMAMIDE
CAS No: 89380-01-8 Catalog No: AG003WDH MDL No:
Product Description
Catalog Number:
AG003WDH
Chemical Name:
N-(4-CHLORO-1-METHYL-2,6-DIOXO-3H-PYRIMIDIN-5-YL)FORMAMIDE
CAS Number:
89380-01-8
Molecular Formula:
C6H6ClN3O3
Molecular Weight:
203.5831
IUPAC Name:
N-(6-chloro-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)formamide
InChI:
InChI=1S/C6H6ClN3O3/c1-10-5(12)3(8-2-11)4(7)9-6(10)13/h2H,1H3,(H,8,11)(H,9,13)
InChI Key:
AAIHBUWLYQWAIK-UHFFFAOYSA-N
SMILES:
O=CNc1c(Cl)[nH]c(=O)n(c1=O)C
NSC Number:
355517
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.582g/mol
Monoisotopic Mass:
203.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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