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5- (Bromomethyl) -2-nitropyridine

CAT: 0127-OR1072576-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072576-01Size:100 mg
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CAS Number
448968-52-3
MDL Number
MFCD14584503
Purity
95%
Smiles
O=[N+](C1=NC=C(CBr)C=C1)[O-]

Chemical Information

5-(bromomethyl)-2-nitroPyridine
CAS Number448968-52-3
PubChem CID58122257
IUPAC Name5-(bromomethyl)-2-nitropyridine
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02
XLogP1.6
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
C1=CC(=NC=C1CBr)[N+](=O)[O-]
InChI
InChI=1S/C6H5BrN2O2/c7-3-5-1-2-6(8-4-5)9(10)11/h1-2,4H,3H2
InChIKey
RWMMMFKJDQNPTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(bromomethyl)-2-nitroPyridine
CAS: 448968-52-3
CID: 58122257
Formula: C6H5BrN2O2
MW: 217.02
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.02
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass215.95344
Monoisotopic Mass215.95344
Topological Polar Surface Area58.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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