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114042-02-3 | Pyridine, 5-bromo-3-methyl-2-nitro-
CAS No: 114042-02-3 Catalog No: AG000AD2 MDL No:MFCD11046415
Product Description
Catalog Number:
AG000AD2
Chemical Name:
Pyridine, 5-bromo-3-methyl-2-nitro-
CAS Number:
114042-02-3
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD11046415
IUPAC Name:
5-bromo-3-methyl-2-nitropyridine
InChI:
InChI=1S/C6H5BrN2O2/c1-4-2-5(7)3-8-6(4)9(10)11/h2-3H,1H3
InChI Key:
VKFNGESSJFKZEK-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C)[N+](=O)[O-]
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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