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Home > Nitro Compounds > 802541-80-6
802541-80-6 | [2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanol
CAS No: 802541-80-6 Catalog No: AG00IT46 MDL No:MFCD09972261
Product Description
Catalog Number:
AG00IT46
Chemical Name:
[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanol
CAS Number:
802541-80-6
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD09972261
IUPAC Name:
[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanol
InChI:
InChI=1S/C12H17N3O3/c1-13-4-6-14(7-5-13)12-3-2-11(15(17)18)8-10(12)9-16/h2-3,8,16H,4-7,9H2,1H3
InChI Key:
WUDXWASLGUZIMB-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1N1CCN(CC1)C)[N+](=O)[O-]
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:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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