Home Halogens 6-chloro-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

6-chloro-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS No.:
887581-47-7
Catalog Number:
AG01A6PB
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
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Product Description
Catalog Number:
AG01A6PB
Chemical Name:
6-chloro-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
887581-47-7
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD03001443
IUPAC Name:
6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)
InChI Key:
KGNSZFNQYGWUGX-UHFFFAOYSA-N
SMILES:
Clc1cc(=O)n(c(=O)[nH]1)C(C)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties