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1226808-71-4 | 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, 2-methylpropyl ester
CAS No: 1226808-71-4 Catalog No: AG0017N1 MDL No:MFCD16295049
Product Description
Catalog Number:
AG0017N1
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, 2-methylpropyl ester
CAS Number:
1226808-71-4
Molecular Formula:
C15H21BrN2O2
Molecular Weight:
341.2434
MDL Number:
MFCD16295049
IUPAC Name:
2-methylpropyl 4-(4-bromophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H21BrN2O2/c1-12(2)11-20-15(19)18-9-7-17(8-10-18)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChI Key:
STCUMJNOSLPXDR-UHFFFAOYSA-N
SMILES:
CC(COC(=O)N1CCN(CC1)c1ccc(cc1)Br)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.249g/mol
Monoisotopic Mass:
340.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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