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744219-44-1 | tert-Butyl 4-(3-iodo-1H-indazol-6-yl);piperazine-1-carboxylate
CAS No: 744219-44-1 Catalog No: AG005BM9 MDL No:MFCD13183044
Product Description
Catalog Number:
AG005BM9
Chemical Name:
tert-Butyl 4-(3-iodo-1H-indazol-6-yl);piperazine-1-carboxylate
CAS Number:
744219-44-1
Molecular Formula:
C16H21IN4O2
Molecular Weight:
428.2680
MDL Number:
MFCD13183044
IUPAC Name:
tert-butyl 4-(3-iodo-2H-indazol-6-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)11-4-5-12-13(10-11)18-19-14(12)17/h4-5,10H,6-9H2,1-3H3,(H,18,19)
InChI Key:
PPEIKYPYQKCFHI-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc2c(c1)[nH]nc2I)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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