Home Halogens 5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidine-1-carboxylic acid tert-butyl ester

5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidine-1-carboxylic acid tert-butyl ester

CAS No.:
402848-99-1
Catalog Number:
AG00CKBM
Molecular Formula:
C9H11BrN2O4
Molecular Weight:
291.0986
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Product Description
Catalog Number:
AG00CKBM
Chemical Name:
5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidine-1-carboxylic acid tert-butyl ester
CAS Number:
402848-99-1
Molecular Formula:
C9H11BrN2O4
Molecular Weight:
291.0986
MDL Number:
MFCD24475089
IUPAC Name:
tert-butyl 5-bromo-2,4-dioxopyrimidine-1-carboxylate
InChI:
InChI=1S/C9H11BrN2O4/c1-9(2,3)16-8(15)12-4-5(10)6(13)11-7(12)14/h4H,1-3H3,(H,11,13,14)
InChI Key:
LQVWNBHZZXYLBF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1Br)C(=O)OC(C)(C)C
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.99g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.101g/mol
Monoisotopic Mass:
289.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties