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102244-43-9 | Piperidine, 1-[[3-(3-bromopropoxy)phenyl]methyl]-
CAS No: 102244-43-9 Catalog No: AG0006ZS MDL No:
Product Description
Catalog Number:
AG0006ZS
Chemical Name:
Piperidine, 1-[[3-(3-bromopropoxy)phenyl]methyl]-
CAS Number:
102244-43-9
Molecular Formula:
C15H22BrNO
Molecular Weight:
312.2453
IUPAC Name:
1-[[3-(3-bromopropoxy)phenyl]methyl]piperidine
InChI:
InChI=1S/C15H22BrNO/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13H2
InChI Key:
CATOMCFNZFQHML-UHFFFAOYSA-N
SMILES:
BrCCCOc1cccc(c1)CN1CCCCC1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.251g/mol
Monoisotopic Mass:
311.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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