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1171917-87-5

1171917-87-5 | 2-(4-Boc-piperazino-1-yl)-6-fluorophenol

CAS No: 1171917-87-5 Catalog No: AG01FBS7 MDL No:MFCD11849909

Product Description

Catalog Number:
AG01FBS7
Chemical Name:
2-(4-Boc-piperazino-1-yl)-6-fluorophenol
CAS Number:
1171917-87-5
Molecular Formula:
C15H21FN2O3
Molecular Weight:
296.3372
MDL Number:
MFCD11849909
IUPAC Name:
tert-butyl 4-(3-fluoro-2-hydroxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-9-7-17(8-10-18)12-6-4-5-11(16)13(12)19/h4-6,19H,7-10H2,1-3H3
InChI Key:
VWLYQXZHTYXYSC-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc(c1O)F)OC(C)(C)C

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.154g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.342g/mol
Monoisotopic Mass:
296.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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