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Home > Bromides > 1150271-33-2
1150271-33-2 | 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, phenylmethyl ester
CAS No: 1150271-33-2 Catalog No: AG000FQ7 MDL No:MFCD12026064
Product Description
Catalog Number:
AG000FQ7
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, phenylmethyl ester
CAS Number:
1150271-33-2
Molecular Formula:
C18H19BrN2O2
Molecular Weight:
375.2597
MDL Number:
MFCD12026064
IUPAC Name:
benzyl 4-(4-bromophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C18H19BrN2O2/c19-16-6-8-17(9-7-16)20-10-12-21(13-11-20)18(22)23-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChI Key:
AOCMGNPEKPFTEC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.266g/mol
Monoisotopic Mass:
374.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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