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904186-12-5 | 1-(3-Bromobenzyl)-3-methylpiperidine
CAS No: 904186-12-5 Catalog No: AG01EYZ5 MDL No:
Product Description
Catalog Number:
AG01EYZ5
Chemical Name:
1-(3-Bromobenzyl)-3-methylpiperidine
CAS Number:
904186-12-5
Molecular Formula:
C13H18BrN
Molecular Weight:
268.1927
IUPAC Name:
1-[(3-bromophenyl)methyl]-3-methylpiperidine
InChI:
InChI=1S/C13H18BrN/c1-11-4-3-7-15(9-11)10-12-5-2-6-13(14)8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3
InChI Key:
WBAUQFATUPQGAL-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)Cc1cccc(c1)Br
Properties
Complexity:
195
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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