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100794-31-8 | 1-Piperidineethanol, α-[(2-bromophenoxy)methyl]-
CAS No: 100794-31-8 Catalog No: AG0002WB MDL No:MFCD03670777
Product Description
Catalog Number:
AG0002WB
Chemical Name:
1-Piperidineethanol, α-[(2-bromophenoxy)methyl]-
CAS Number:
100794-31-8
Molecular Formula:
C14H20BrNO2
Molecular Weight:
314.2181
MDL Number:
MFCD03670777
IUPAC Name:
1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
InChI:
InChI=1S/C14H20BrNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2
InChI Key:
KLBCAIPPVSRHBK-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccccc1Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.223g/mol
Monoisotopic Mass:
313.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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