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Home > Nitro Compounds > 1349717-37-8
1349717-37-8 | 4-(5-Nitropyridin-2-yl)benzyl alcohol
CAS No: 1349717-37-8 Catalog No: AG01FD1R MDL No:
Product Description
Catalog Number:
AG01FD1R
Chemical Name:
4-(5-Nitropyridin-2-yl)benzyl alcohol
CAS Number:
1349717-37-8
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
[4-(5-nitropyridin-2-yl)phenyl]methanol
InChI:
InChI=1S/C12H10N2O3/c15-8-9-1-3-10(4-2-9)12-6-5-11(7-13-12)14(16)17/h1-7,15H,8H2
InChI Key:
PLSVOLMUYVKRHJ-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(cn1)[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:
1.4
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