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Home > Nitro Compounds > 112559-81-6
112559-81-6 | Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-
CAS No: 112559-81-6 Catalog No: AG00HCED MDL No:MFCD08460988
Product Description
Catalog Number:
AG00HCED
Chemical Name:
Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-
CAS Number:
112559-81-6
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
MDL Number:
MFCD08460988
IUPAC Name:
4-[4-(4-nitrophenyl)piperazin-1-yl]phenol
InChI:
InChI=1S/C16H17N3O3/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12H2
InChI Key:
BNHYDULILNJFFY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
EC Number:
601-189-8
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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