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15862-50-7 | Pyridine, 3-bromo-2-methoxy-5-nitro-
CAS No: 15862-50-7 Catalog No: AG001QD1 MDL No:MFCD06659517
Product Description
Catalog Number:
AG001QD1
Chemical Name:
Pyridine, 3-bromo-2-methoxy-5-nitro-
CAS Number:
15862-50-7
Molecular Formula:
C6H5BrN2O3
Molecular Weight:
233.0195
MDL Number:
MFCD06659517
IUPAC Name:
3-bromo-2-methoxy-5-nitropyridine
InChI:
InChI=1S/C6H5BrN2O3/c1-12-6-5(7)2-4(3-8-6)9(10)11/h2-3H,1H3
InChI Key:
VRCSBPXFYAADHQ-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.948g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.021g/mol
Monoisotopic Mass:
231.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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