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Home > Nitro Compounds > 1349718-13-3
1349718-13-3 | 4-(5-Nitropyrimidin-2-yl)benzyl alcohol
CAS No: 1349718-13-3 Catalog No: AG01FCC3 MDL No:
Product Description
Catalog Number:
AG01FCC3
Chemical Name:
4-(5-Nitropyrimidin-2-yl)benzyl alcohol
CAS Number:
1349718-13-3
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
[4-(5-nitropyrimidin-2-yl)phenyl]methanol
InChI:
InChI=1S/C11H9N3O3/c15-7-8-1-3-9(4-2-8)11-12-5-10(6-13-11)14(16)17/h1-6,15H,7H2
InChI Key:
LOUZJEZVMAWAFP-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ncc(cn1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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