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20151-01-3 | 2-Pyridineethanol, α-(4-nitrophenyl)-
CAS No: 20151-01-3 Catalog No: AG002DGM MDL No:
Product Description
Catalog Number:
AG002DGM
Chemical Name:
2-Pyridineethanol, α-(4-nitrophenyl)-
CAS Number:
20151-01-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
1-(4-nitrophenyl)-2-pyridin-2-ylethanol
InChI:
InChI=1S/C13H12N2O3/c16-13(9-11-3-1-2-8-14-11)10-4-6-12(7-5-10)15(17)18/h1-8,13,16H,9H2
InChI Key:
ANXXWRWZWCRHSO-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)[N+](=O)[O-])Cc1ccccn1
NSC Number:
241064
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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