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Home > Bromides > 1198284-77-3
1198284-77-3 | 1-Piperidinecarboxylic acid, 4-(5-bromo-1H-indazol-3-yl)-, 1,1-dimethylethyl ester
CAS No: 1198284-77-3 Catalog No: AG000PQM MDL No:MFCD12912624
Product Description
Catalog Number:
AG000PQM
Chemical Name:
1-Piperidinecarboxylic acid, 4-(5-bromo-1H-indazol-3-yl)-, 1,1-dimethylethyl ester
CAS Number:
1198284-77-3
Molecular Formula:
C17H22BrN3O2
Molecular Weight:
380.2795
MDL Number:
MFCD12912624
IUPAC Name:
tert-butyl 4-(5-bromo-2H-indazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22BrN3O2/c1-17(2,3)23-16(22)21-8-6-11(7-9-21)15-13-10-12(18)4-5-14(13)19-20-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,20)
InChI Key:
FWYHPNZDIXLONJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1n[nH]c2c1cc(Br)cc2)OC(C)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.286g/mol
Monoisotopic Mass:
379.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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