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Home > Nitro Compounds > 885699-91-2
885699-91-2 | 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile
CAS No: 885699-91-2 Catalog No: AG01C3HS MDL No:MFCD20684905
Product Description
Catalog Number:
AG01C3HS
Chemical Name:
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile
CAS Number:
885699-91-2
MDL Number:
MFCD20684905
IUPAC Name:
1-(1-methoxy-2-methylpropan-2-yl)piperazine
InChI:
InChI=1S/C9H20N2O/c1-9(2,8-12-3)11-6-4-10-5-7-11/h10H,4-8H2,1-3H3
InChI Key:
GXIKUKNOGCVDIN-UHFFFAOYSA-N
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.158g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.272g/mol
Monoisotopic Mass:
172.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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