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885274-92-0 | 1-(4-Bromobenzoyl)piperidin-4-one
CAS No: 885274-92-0 Catalog No: AG0046CH MDL No:MFCD04115035
Product Description
Catalog Number:
AG0046CH
Chemical Name:
1-(4-Bromobenzoyl)piperidin-4-one
CAS Number:
885274-92-0
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD04115035
IUPAC Name:
1-(4-bromobenzoyl)piperidin-4-one
InChI:
InChI=1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)12(16)14-7-5-11(15)6-8-14/h1-4H,5-8H2
InChI Key:
QYMXIDAINBPSHT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)N1CCC(=O)CC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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