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Home > Bromides > 1047670-51-8
1047670-51-8 | [5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl](4-methoxyphenyl)-methanone
CAS No: 1047670-51-8 Catalog No: AG01EPL0 MDL No:
Product Description
Catalog Number:
AG01EPL0
Chemical Name:
[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl](4-methoxyphenyl)-methanone
CAS Number:
1047670-51-8
Molecular Formula:
C24H17BrCl2N2O2
Molecular Weight:
516.2140
IUPAC Name:
[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C24H17BrCl2N2O2/c1-14-22(24(30)16-5-10-19(31-2)11-6-16)28-29(21-12-9-18(26)13-20(21)27)23(14)15-3-7-17(25)8-4-15/h3-13H,1-2H3
InChI Key:
ZUDJJNLJDWKCNV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1nn(c(c1C)c1ccc(cc1)Br)c1ccc(cc1Cl)Cl
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.985g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.216g/mol
Monoisotopic Mass:
513.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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