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Home > Nitro Compounds > 170912-81-9
170912-81-9 | 1-(2-methoxy-4-nitrophenyl)piperazine
CAS No: 170912-81-9 Catalog No: AG00JIXK MDL No:MFCD05182246
Product Description
Catalog Number:
AG00JIXK
Chemical Name:
1-(2-methoxy-4-nitrophenyl)piperazine
CAS Number:
170912-81-9
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD05182246
IUPAC Name:
1-(2-methoxy-4-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O3/c1-17-11-8-9(14(15)16)2-3-10(11)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChI Key:
DGVRAWOHHPXSAQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N1CCNCC1)[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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