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59878-28-3 | 4-Boc-1-piperazinecarbonyl Chloride
CAS No: 59878-28-3 Catalog No: AG003KU9 MDL No:MFCD09028534
Product Description
Catalog Number:
AG003KU9
Chemical Name:
4-Boc-1-piperazinecarbonyl Chloride
CAS Number:
59878-28-3
Molecular Formula:
C10H17ClN2O3
Molecular Weight:
248.7066
MDL Number:
MFCD09028534
IUPAC Name:
tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate
InChI:
InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3
InChI Key:
NCIQNWYJLAAFAH-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)Cl)OC(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.707g/mol
Monoisotopic Mass:
248.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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