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5-Bromo-2,4-dimethoxypyrimidine

CAT: 0572-TRC-B684085-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684085-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56686-16-9
Hazard Statement
No Data Available
Smiles
COc1ncc(Br)c(OC)n1
Molecular Formula
C6 H7 Br N2 O2
Molecular Weight
219.04
InChI
InChI=1S/C6H7BrN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
Additionnal Information
IUPAC name: 5-bromo-2,4-dimethoxypyrimidine
Shipping Conditions
Room Temperature

Chemical Information

5-Bromo-2,4-dimethoxypyrimidine
CAS Number56686-16-9
PubChem CID255719
IUPAC Name5-bromo-2,4-dimethoxypyrimidine
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04
XLogP1.5
Topological Polar Surface Area44.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
COC1=NC(=NC=C1Br)OC
InChI
InChI=1S/C6H7BrN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChIKey
QEZIMQMMEGPYTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2,4-dimethoxypyrimidine
CAS: 56686-16-9
CID: 255719
Formula: C6H7BrN2O2
MW: 219.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.04
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass217.96909
Monoisotopic Mass217.96909
Topological Polar Surface Area44.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
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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