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906559-46-4 | Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate
CAS No: 906559-46-4 Catalog No: AG003RTM MDL No:MFCD18651754
Product Description
Catalog Number:
AG003RTM
Chemical Name:
Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate
CAS Number:
906559-46-4
Molecular Formula:
C17H23ClN2O4
Molecular Weight:
354.8285
MDL Number:
MFCD18651754
IUPAC Name:
tert-butyl 4-(2-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)14-6-5-12(11-13(14)18)15(21)23-4/h5-6,11H,7-10H2,1-4H3
InChI Key:
OQYMMYYTJXVHSU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.831g/mol
Monoisotopic Mass:
354.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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