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87273-12-9 | Ethanone, 1-(4-bromophenyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]-
CAS No: 87273-12-9 Catalog No: AG004PG9 MDL No:
Product Description
Catalog Number:
AG004PG9
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]-
CAS Number:
87273-12-9
Molecular Formula:
C14H13BrN2OS
Molecular Weight:
337.2348
IUPAC Name:
1-(4-bromophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanone
InChI:
InChI=1S/C14H13BrN2OS/c1-9-7-14(17-10(2)16-9)19-8-13(18)11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3
InChI Key:
MEJZREVGXQSHJN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CSc1cc(C)nc(n1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.235g/mol
Monoisotopic Mass:
335.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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