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300690-13-5 | 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester
CAS No: 300690-13-5 Catalog No: AG01F2YC MDL No:
Product Description
Catalog Number:
AG01F2YC
Chemical Name:
4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester
CAS Number:
300690-13-5
Molecular Formula:
C16H19BrN2O3
Molecular Weight:
367.2377
IUPAC Name:
butyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C16H19BrN2O3/c1-3-4-9-22-15(20)13-10(2)18-16(21)19-14(13)11-7-5-6-8-12(11)17/h5-8,14H,3-4,9H2,1-2H3,(H2,18,19,21)
InChI Key:
TXTAZTAYAOBZJE-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1Br
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.243g/mol
Monoisotopic Mass:
366.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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