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733797-83-6 | 4-Piperidinecarboxylicacid, 1-[(4-bromophenyl)methyl]-
CAS No: 733797-83-6 Catalog No: AG005OCL MDL No:
Product Description
Catalog Number:
AG005OCL
Chemical Name:
4-Piperidinecarboxylicacid, 1-[(4-bromophenyl)methyl]-
CAS Number:
733797-83-6
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
1-[(4-bromophenyl)methyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H16BrNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)
InChI Key:
LJHQRWOVQNSMLA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1ccc(cc1)Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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