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4-Bromo-2-methylpyrimidine

CAT: 0572-TRC-B686015-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686015-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1114560-76-7
Hazard Statement
No Data Available
Smiles
Cc1nccc(Br)n1
Molecular Formula
C5 H5 Br N2
Molecular Weight
173.011
InChI
InChI=1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
Additionnal Information
IUPAC name: 4-bromo-2-methylpyrimidine
Shipping Conditions
Room Temperature

Chemical Information

4-Bromo-2-methylpyrimidine
CAS Number1114560-76-7
PubChem CID22419321
IUPAC Name4-bromo-2-methylpyrimidine
Molecular FormulaC5H5BrN2
Molecular Weight173.01
XLogP1.6
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1=NC=CC(=N1)Br
InChI
InChI=1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
InChIKey
OJPQVYZLQGRFSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-methylpyrimidine
CAS: 1114560-76-7
CID: 22419321
Formula: C5H5BrN2
MW: 173.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.01
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass171.96361
Monoisotopic Mass171.96361
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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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