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178162-69-1 | Piperidine, 1-[(4-bromophenyl)methyl]-
CAS No: 178162-69-1 Catalog No: AG0025TD MDL No:MFCD06080709
Product Description
Catalog Number:
AG0025TD
Chemical Name:
Piperidine, 1-[(4-bromophenyl)methyl]-
CAS Number:
178162-69-1
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
MDL Number:
MFCD06080709
IUPAC Name:
1-[(4-bromophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16BrN/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChI Key:
ILQFFXGIIWWTNH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1CCCCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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