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2-Bromo-5-chloropyrimidine

CAT: 0127-OR923484-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR923484-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124405-67-0
MDL Number
MFCD12026299
Purity
95%
Smiles
Clc1cnc(Br)nc1
Storage Conditions
Store at 2-8°C

Chemical Information

2-Bromo-5-chloropyrimidine
CAS Number124405-67-0
PubChem CID22236273
IUPAC Name2-bromo-5-chloropyrimidine
Molecular FormulaC4H2BrClN2
Molecular Weight193.43
XLogP1.9
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C1=C(C=NC(=N1)Br)Cl
InChI
InChI=1S/C4H2BrClN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKey
QZOXTQMVQQUSCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-chloropyrimidine
CAS: 124405-67-0
CID: 22236273
Formula: C4H2BrClN2
MW: 193.43
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.43
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass191.90899
Monoisotopic Mass191.90899
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.4
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