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29180-45-8 | 1-(4-Bromobenzyl)-2-methylpiperidine
CAS No: 29180-45-8 Catalog No: AG01EUOX MDL No:
Product Description
Catalog Number:
AG01EUOX
Chemical Name:
1-(4-Bromobenzyl)-2-methylpiperidine
CAS Number:
29180-45-8
Molecular Formula:
C13H18BrN
Molecular Weight:
268.1927
IUPAC Name:
1-[(4-bromophenyl)methyl]-2-methylpiperidine
InChI:
InChI=1S/C13H18BrN/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChI Key:
OBBKUSZEBQMHCN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1CCCCC1C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.198g/mol
Monoisotopic Mass:
267.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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