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69337-31-1 | 6-CHLORO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
CAS No: 69337-31-1 Catalog No: AG006FUY MDL No:MFCD00848144
Product Description
Catalog Number:
AG006FUY
Chemical Name:
6-CHLORO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
CAS Number:
69337-31-1
Molecular Formula:
C7H6ClN3O2
Molecular Weight:
199.5944
MDL Number:
MFCD00848144
IUPAC Name:
4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H6ClN3O2/c1-10-5(8)4(3-9)6(12)11(2)7(10)13/h1-2H3
InChI Key:
KTMMEWQJKQBEAK-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)n(C)c(=O)n(c1=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.594g/mol
Monoisotopic Mass:
199.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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