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178408-21-4 | 2-Piperazinone, 3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methyl-
CAS No: 178408-21-4 Catalog No: AG00260W MDL No:
Product Description
Catalog Number:
AG00260W
Chemical Name:
2-Piperazinone, 3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methyl-
CAS Number:
178408-21-4
Molecular Formula:
C13H13BrN2O2
Molecular Weight:
309.1585
IUPAC Name:
3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
InChI:
InChI=1S/C13H13BrN2O2/c1-16-7-6-15-11(13(16)18)8-12(17)9-2-4-10(14)5-3-9/h2-5,8,15H,6-7H2,1H3
InChI Key:
GTODBTFJHCISKP-UHFFFAOYSA-N
SMILES:
CN1CCNC(=CC(=O)c2ccc(cc2)Br)C1=O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.163g/mol
Monoisotopic Mass:
308.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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