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23056-47-5 | Pyridine, 2-bromo-4-methyl-5-nitro-
CAS No: 23056-47-5 Catalog No: AG002M1P MDL No:MFCD03095066
Product Description
Catalog Number:
AG002M1P
Chemical Name:
Pyridine, 2-bromo-4-methyl-5-nitro-
CAS Number:
23056-47-5
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD03095066
IUPAC Name:
2-bromo-4-methyl-5-nitropyridine
InChI:
InChI=1S/C6H5BrN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3
InChI Key:
OSYUAHGEDKTDOX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(cc1C)Br
NSC Number:
403724
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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