Home Halogens 6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS No.:
1803604-63-8
Catalog Number:
AG01BAEC
Molecular Formula:
C6H4ClN3O2
Molecular Weight:
185.5679
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Product Description
Catalog Number:
AG01BAEC
Chemical Name:
6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
1803604-63-8
Molecular Formula:
C6H4ClN3O2
Molecular Weight:
185.5679
MDL Number:
MFCD28714534
IUPAC Name:
6-chloro-3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H4ClN3O2/c1-10-5(11)3(2-8)4(7)9-6(10)12/h1H3,(H,9,12)
InChI Key:
NRGGSKQJLCNFET-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)[nH]c(=O)n(c1=O)C
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.567g/mol
Monoisotopic Mass:
184.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties