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851753-43-0 | tert-Butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
CAS No: 851753-43-0 Catalog No: AG004MWY MDL No:MFCD11849899
Product Description
Catalog Number:
AG004MWY
Chemical Name:
tert-Butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
CAS Number:
851753-43-0
Molecular Formula:
C16H21FN2O3
Molecular Weight:
308.3479
MDL Number:
MFCD11849899
IUPAC Name:
tert-butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14-12(11-20)5-4-6-13(14)17/h4-6,11H,7-10H2,1-3H3
InChI Key:
QJBKIZQJOQTBCO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1N1CCN(CC1)C(=O)OC(C)(C)C)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.353g/mol
Monoisotopic Mass:
308.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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