Home Halogens Pyrimidine, 5-bromo-2-ethynyl-

Pyrimidine, 5-bromo-2-ethynyl-

CAS No.:
1135283-08-7
Catalog Number:
AG0008W5
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
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Product Description
Catalog Number:
AG0008W5
Chemical Name:
Pyrimidine, 5-bromo-2-ethynyl-
CAS Number:
1135283-08-7
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD11840983
IUPAC Name:
5-bromo-2-ethynylpyrimidine
InChI:
InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChI Key:
ZHOLVGVOMDUCDY-UHFFFAOYSA-N
SMILES:
C#Cc1ncc(cn1)Br
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties