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1333222-29-9 | Pyrimidine, 5-bromo-4-ethenyl-
CAS No: 1333222-29-9 Catalog No: AG0014N2 MDL No:
Product Description
Catalog Number:
AG0014N2
Chemical Name:
Pyrimidine, 5-bromo-4-ethenyl-
CAS Number:
1333222-29-9
Molecular Formula:
C6H5BrN2
Molecular Weight:
185.0213
IUPAC Name:
5-bromo-4-ethenylpyrimidine
InChI:
InChI=1S/C6H5BrN2/c1-2-6-5(7)3-8-4-9-6/h2-4H,1H2
InChI Key:
SEDPESMXZNGSEC-UHFFFAOYSA-N
SMILES:
C=Cc1ncncc1Br
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.964g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.024g/mol
Monoisotopic Mass:
183.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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