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88675-44-9 | Ethanone, 1-(4-bromophenyl)-2-phenyl-2-(1-piperidinyl)-
CAS No: 88675-44-9 Catalog No: AG0047O1 MDL No:
Product Description
Catalog Number:
AG0047O1
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-phenyl-2-(1-piperidinyl)-
CAS Number:
88675-44-9
Molecular Formula:
C19H20BrNO
Molecular Weight:
358.2722
IUPAC Name:
1-(4-bromophenyl)-2-phenyl-2-piperidin-1-ylethanone
InChI:
InChI=1S/C19H20BrNO/c20-17-11-9-16(10-12-17)19(22)18(15-7-3-1-4-8-15)21-13-5-2-6-14-21/h1,3-4,7-12,18H,2,5-6,13-14H2
InChI Key:
MTJHAZRXUIFVDW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)C(c1ccccc1)N1CCCCC1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.279g/mol
Monoisotopic Mass:
357.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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