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746550-66-3 | (4-Bromophenyl);(piperidin-4-yl);methanone
CAS No: 746550-66-3 Catalog No: AG005J1N MDL No:MFCD04114992
Product Description
Catalog Number:
AG005J1N
Chemical Name:
(4-Bromophenyl);(piperidin-4-yl);methanone
CAS Number:
746550-66-3
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
MDL Number:
MFCD04114992
IUPAC Name:
(4-bromophenyl)-piperidin-4-ylmethanone
InChI:
InChI=1S/C12H14BrNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChI Key:
NVAKSNKROARJQQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)C1CCNCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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