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131326-98-2 | Ethanone, 1-(4-bromophenyl)-2-[methyl(phenylmethyl)amino]-
CAS No: 131326-98-2 Catalog No: AG000VXS MDL No:
Product Description
Catalog Number:
AG000VXS
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-[methyl(phenylmethyl)amino]-
CAS Number:
131326-98-2
Molecular Formula:
C16H16BrNO
Molecular Weight:
318.2083
IUPAC Name:
2-[benzyl(methyl)amino]-1-(4-bromophenyl)ethanone
InChI:
InChI=1S/C16H16BrNO/c1-18(11-13-5-3-2-4-6-13)12-16(19)14-7-9-15(17)10-8-14/h2-10H,11-12H2,1H3
InChI Key:
XWDRWLHFLKDMST-UHFFFAOYSA-N
SMILES:
CN(CC(=O)c1ccc(cc1)Br)Cc1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.214g/mol
Monoisotopic Mass:
317.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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