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Home > Bromides > 1006300-03-3
1006300-03-3 | 2,4(1H,3H)-Pyrimidinedione, 6-(3-bromo-5-methylbenzoyl)-5-(1-methylethyl)-
CAS No: 1006300-03-3 Catalog No: AG0002IG MDL No:
Product Description
Catalog Number:
AG0002IG
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(3-bromo-5-methylbenzoyl)-5-(1-methylethyl)-
CAS Number:
1006300-03-3
Molecular Formula:
C15H15BrN2O3
Molecular Weight:
351.1952
IUPAC Name:
6-(3-bromo-5-methylbenzoyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C15H15BrN2O3/c1-7(2)11-12(17-15(21)18-14(11)20)13(19)9-4-8(3)5-10(16)6-9/h4-7H,1-3H3,(H2,17,18,20,21)
InChI Key:
GGNQLIJIWHTAOI-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)C(=O)c1[nH]c(=O)[nH]c(=O)c1C(C)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.2g/mol
Monoisotopic Mass:
350.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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