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3-Bromo-4-methoxy-5-methylpyridine

CAT: 0127-OR1081707-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081707-01Size:250 mg
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CAS Number
1256807-69-8
MDL Number
MFCD18257658
Purity
97%
Smiles
C1 (cncc (c1OC) C) Br

Chemical Information

3-Bromo-4-methoxy-5-methylpyridine
CAS Number1256807-69-8
PubChem CID70976874
IUPAC Name3-bromo-4-methoxy-5-methylpyridine
Molecular FormulaC7H8BrNO
Molecular Weight202.05
XLogP1.9
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
CC1=CN=CC(=C1OC)Br
InChI
InChI=1S/C7H8BrNO/c1-5-3-9-4-6(8)7(5)10-2/h3-4H,1-2H3
InChIKey
OYEWDMQZOGWNMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-4-methoxy-5-methylpyridine
CAS: 1256807-69-8
CID: 70976874
Formula: C7H8BrNO
MW: 202.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.05
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass200.97893
Monoisotopic Mass200.97893
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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