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Home > Bromides > 1226808-66-7
1226808-66-7 | 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, ethyl ester
CAS No: 1226808-66-7 Catalog No: AG0017M0 MDL No:MFCD16295047
Product Description
Catalog Number:
AG0017M0
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, ethyl ester
CAS Number:
1226808-66-7
Molecular Formula:
C13H17BrN2O2
Molecular Weight:
313.1903
MDL Number:
MFCD16295047
IUPAC Name:
ethyl 4-(4-bromophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H17BrN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
InChI Key:
XSUYOZYMCAGVLG-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(cc1)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.195g/mol
Monoisotopic Mass:
312.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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