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871340-42-0 | TERT-BUTYL 4-(3-BROMO-5-(METHOXYCARBONYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
CAS No: 871340-42-0 Catalog No: AG004KM1 MDL No:
Product Description
Catalog Number:
AG004KM1
Chemical Name:
TERT-BUTYL 4-(3-BROMO-5-(METHOXYCARBONYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
CAS Number:
871340-42-0
Molecular Formula:
C17H23BrN2O4
Molecular Weight:
399.2795
IUPAC Name:
tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H23BrN2O4/c1-17(2,3)24-16(22)20-7-5-19(6-8-20)14-10-12(15(21)23-4)9-13(18)11-14/h9-11H,5-8H2,1-4H3
InChI Key:
HZBPYNDVOSOTCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1)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:
398.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.285g/mol
Monoisotopic Mass:
398.084g/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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