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5-Bromo-2-ethoxypyrimidine

CAT: 0127-OR15514-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR15514-01Size:500 mg
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CAS Number
17758-11-1
Synonyms
5-Bromo-2-ethoxy-1,3-diazine
MDL Number
MFCD07375135
Purity
=95%
Smiles
CCOc1ncc(Br)cn1

Chemical Information

5-Bromo-2-ethoxypyrimidine
CAS Number17758-11-1
PubChem CID16427141
IUPAC Name5-bromo-2-ethoxypyrimidine
Molecular FormulaC6H7BrN2O
Molecular Weight203.04
XLogP1.6
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCOC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
GNSREVHIXMTHFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-ethoxypyrimidine
CAS: 17758-11-1
CID: 16427141
Formula: C6H7BrN2O
MW: 203.04
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.04
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass201.97418
Monoisotopic Mass201.97418
Topological Polar Surface Area35 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.7
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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