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Home > Nitro Compounds > 398470-53-6
398470-53-6 | 3-Methyl-1-(2-nitrophenyl)piperazine
CAS No: 398470-53-6 Catalog No: AG003JO8 MDL No:MFCD00448002
Product Description
Catalog Number:
AG003JO8
Chemical Name:
3-Methyl-1-(2-nitrophenyl)piperazine
CAS Number:
398470-53-6
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD00448002
IUPAC Name:
3-methyl-1-(2-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O2/c1-9-8-13(7-6-12-9)10-4-2-3-5-11(10)14(15)16/h2-5,9,12H,6-8H2,1H3
InChI Key:
JLCKZYKOWUVIPC-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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