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Home > Nitro Compounds > 203047-33-0
203047-33-0 | 1-Boc-4-(3-Nitrobenzyl)piperazine
CAS No: 203047-33-0 Catalog No: AG003E1I MDL No:MFCD06797469
Product Description
Catalog Number:
AG003E1I
Chemical Name:
1-Boc-4-(3-Nitrobenzyl)piperazine
CAS Number:
203047-33-0
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
MDL Number:
MFCD06797469
IUPAC Name:
tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(11-13)19(21)22/h4-6,11H,7-10,12H2,1-3H3
InChI Key:
HWTWAJBOXCYPAM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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