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Home > Bromides > 1245643-66-6
1245643-66-6 | Pyridine, 5-bromo-3-nitro-2-(phenylmethoxy)-
CAS No: 1245643-66-6 Catalog No: AG000M80 MDL No:
Product Description
Catalog Number:
AG000M80
Chemical Name:
Pyridine, 5-bromo-3-nitro-2-(phenylmethoxy)-
CAS Number:
1245643-66-6
Molecular Formula:
C12H9BrN2O3
Molecular Weight:
309.1155
IUPAC Name:
5-bromo-3-nitro-2-phenylmethoxypyridine
InChI:
InChI=1S/C12H9BrN2O3/c13-10-6-11(15(16)17)12(14-7-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
MMNAEFZPFOIVGP-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.119g/mol
Monoisotopic Mass:
307.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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