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920023-52-5 | N-BOC-4-(2-BROMOPHENYL)-PIPERIDINE-4-CARBOXYLIC ACID
CAS No: 920023-52-5 Catalog No: AG01F8NA MDL No:
Product Description
Catalog Number:
AG01F8NA
Chemical Name:
N-BOC-4-(2-BROMOPHENYL)-PIPERIDINE-4-CARBOXYLIC ACID
CAS Number:
920023-52-5
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
IUPAC Name:
4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19,14(20)21)12-6-4-5-7-13(12)18/h4-7H,8-11H2,1-3H3,(H,20,21)
InChI Key:
NXXMVSPXGZXQIU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(C(=O)O)c1ccccc1Br)OC(C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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