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Home > Nitro Compounds > 170017-73-9
170017-73-9 | 1-Boc-4-(2-nitrophenyl)piperazine
CAS No: 170017-73-9 Catalog No: AG003E1H MDL No:MFCD08275017
Product Description
Catalog Number:
AG003E1H
Chemical Name:
1-Boc-4-(2-nitrophenyl)piperazine
CAS Number:
170017-73-9
Molecular Formula:
C15H21N3O4
Molecular Weight:
307.3449
MDL Number:
MFCD08275017
IUPAC Name:
tert-butyl 4-(2-nitrophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-6-4-5-7-13(12)18(20)21/h4-7H,8-11H2,1-3H3
InChI Key:
GTGIZVUOLBRDAO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.35g/mol
Monoisotopic Mass:
307.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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