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300690-02-2 | 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester
CAS No: 300690-02-2 Catalog No: AG01F2SU MDL No:
Product Description
Catalog Number:
AG01F2SU
Chemical Name:
4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester
CAS Number:
300690-02-2
Molecular Formula:
C15H17BrN2O3
Molecular Weight:
353.2111
IUPAC Name:
propan-2-yl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C15H17BrN2O3/c1-8(2)21-14(19)12-9(3)17-15(20)18-13(12)10-6-4-5-7-11(10)16/h4-8,13H,1-3H3,(H2,17,18,20)
InChI Key:
KCFUJKGEWDKYAQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(N1)c1ccccc1Br)C(=O)OC(C)C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.216g/mol
Monoisotopic Mass:
352.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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