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301665-60-1 | 1-benzyl-4-bromopiperidine
CAS No: 301665-60-1 Catalog No: AG0039IN MDL No:MFCD16496496
Product Description
Catalog Number:
AG0039IN
Chemical Name:
1-benzyl-4-bromopiperidine
CAS Number:
301665-60-1
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
MDL Number:
MFCD16496496
IUPAC Name:
1-benzyl-4-bromopiperidine
InChI:
InChI=1S/C12H16BrN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
BIVWVMVLXIUILP-UHFFFAOYSA-N
SMILES:
BrC1CCN(CC1)Cc1ccccc1
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:
3.1
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