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Home > Nitro Compounds > 761440-26-0
761440-26-0 | 1-(3-Methoxy-4-nitrophenyl)-4-Methylpiperazine
CAS No: 761440-26-0 Catalog No: AG00G3M2 MDL No:MFCD16249532
Product Description
Catalog Number:
AG00G3M2
Chemical Name:
1-(3-Methoxy-4-nitrophenyl)-4-Methylpiperazine
CAS Number:
761440-26-0
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD16249532
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine
InChI:
InChI=1S/C12H17N3O3/c1-13-5-7-14(8-6-13)10-3-4-11(15(16)17)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3
InChI Key:
MKTFAOFIZMORTQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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