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Home > Nitro Compounds > 1349718-85-9
1349718-85-9 | 4-(6-Nitropyridin-3-yl)benzyl alcohol
CAS No: 1349718-85-9 Catalog No: AG01FD1Y MDL No:
Product Description
Catalog Number:
AG01FD1Y
Chemical Name:
4-(6-Nitropyridin-3-yl)benzyl alcohol
CAS Number:
1349718-85-9
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
[4-(6-nitropyridin-3-yl)phenyl]methanol
InChI:
InChI=1S/C12H10N2O3/c15-8-9-1-3-10(4-2-9)11-5-6-12(13-7-11)14(16)17/h1-7,15H,8H2
InChI Key:
DKVLJLZYUHZDOY-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(nc1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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