Home Carboxys 1-(3-Bromophenyl)piperidine-4-carboxylic acid

1-(3-Bromophenyl)piperidine-4-carboxylic acid

CAS No.:
1059536-36-5
Catalog Number:
AG0084TG
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
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Product Description
Catalog Number:
AG0084TG
Chemical Name:
1-(3-Bromophenyl)piperidine-4-carboxylic acid
CAS Number:
1059536-36-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD22493458
IUPAC Name:
1-(3-bromophenyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H14BrNO2/c13-10-2-1-3-11(8-10)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChI Key:
SEZDIKBWBKCELD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1cccc(c1)Br
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties