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210832-84-1 | Ethanone, 2-bromo-1-[4-(1-piperidinyl)phenyl]-
CAS No: 210832-84-1 Catalog No: AG002L00 MDL No:MFCD06808683
Product Description
Catalog Number:
AG002L00
Chemical Name:
Ethanone, 2-bromo-1-[4-(1-piperidinyl)phenyl]-
CAS Number:
210832-84-1
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
MDL Number:
MFCD06808683
IUPAC Name:
2-bromo-1-(4-piperidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C13H16BrNO/c14-10-13(16)11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChI Key:
NIGRTNRSRXPCQS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)N1CCCCC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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