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1211876-26-4 | tert-Butyl 4-(3-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS No: 1211876-26-4 Catalog No: AG01F64I MDL No:
Product Description
Catalog Number:
AG01F64I
Chemical Name:
tert-Butyl 4-(3-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS Number:
1211876-26-4
Molecular Formula:
C13H20BrN3O2
Molecular Weight:
330.2208
IUPAC Name:
tert-butyl 4-(3-bromopyrazol-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H20BrN3O2/c1-13(2,3)19-12(18)16-7-4-10(5-8-16)17-9-6-11(14)15-17/h6,9-10H,4-5,7-8H2,1-3H3
InChI Key:
HZVCWGMCTPAYAC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1ccc(n1)Br)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.226g/mol
Monoisotopic Mass:
329.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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