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744219-32-7 | 1-Boc-4-(3-Iodo-1H-indazol-4-yl);piperazine
CAS No: 744219-32-7 Catalog No: AG005L35 MDL No:MFCD13183045
Product Description
Catalog Number:
AG005L35
Chemical Name:
1-Boc-4-(3-Iodo-1H-indazol-4-yl);piperazine
CAS Number:
744219-32-7
Molecular Formula:
C16H21IN4O2
Molecular Weight:
428.2680
MDL Number:
MFCD13183045
IUPAC Name:
tert-butyl 4-(3-iodo-2H-indazol-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)21-9-7-20(8-10-21)12-6-4-5-11-13(12)14(17)19-18-11/h4-6H,7-10H2,1-3H3,(H,18,19)
InChI Key:
WMEAHSPWOMNXEX-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc2c1c(I)n[nH]2)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.274g/mol
Monoisotopic Mass:
428.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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