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Home > Nitro Compounds > 68847-71-2
68847-71-2 | (3-(Benzyloxy)-2-nitrophenyl)methanol
CAS No: 68847-71-2 Catalog No: AG019FX6 MDL No:
Product Description
Catalog Number:
AG019FX6
Chemical Name:
(3-(Benzyloxy)-2-nitrophenyl)methanol
CAS Number:
68847-71-2
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
(2-nitro-3-phenylmethoxyphenyl)methanol
InChI:
InChI=1S/C14H13NO4/c16-9-12-7-4-8-13(14(12)15(17)18)19-10-11-5-2-1-3-6-11/h1-8,16H,9-10H2
InChI Key:
UIXAKMZCPVESPK-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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