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905058-94-8 | 1-(3-Bromobenzyl)-2-methylpiperidine
CAS No: 905058-94-8 Catalog No: AG01EYZD MDL No:
Product Description
Catalog Number:
AG01EYZD
Chemical Name:
1-(3-Bromobenzyl)-2-methylpiperidine
CAS Number:
905058-94-8
Molecular Formula:
C13H18BrN
Molecular Weight:
268.1927
IUPAC Name:
1-[(3-bromophenyl)methyl]-2-methylpiperidine
InChI:
InChI=1S/C13H18BrN/c1-11-5-2-3-8-15(11)10-12-6-4-7-13(14)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChI Key:
UHXYFARSBSNTGR-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CN1CCCCC1C
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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