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80980-89-8 | 4-(4'-Bromophenyl)piperidine
CAS No: 80980-89-8 Catalog No: AG003674 MDL No:MFCD03426370
Product Description
Catalog Number:
AG003674
Chemical Name:
4-(4'-Bromophenyl)piperidine
CAS Number:
80980-89-8
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
MDL Number:
MFCD03426370
IUPAC Name:
4-(4-bromophenyl)piperidine
InChI:
InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChI Key:
ZKABWLFDCJKQRE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1CCNCC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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