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951884-40-5 | 5-Bromo-4-(4-ethylphenyl)pyrimidine
CAS No: 951884-40-5 Catalog No: AG003MIR MDL No:MFCD09800937
Product Description
Catalog Number:
AG003MIR
Chemical Name:
5-Bromo-4-(4-ethylphenyl)pyrimidine
CAS Number:
951884-40-5
Molecular Formula:
C12H11BrN2
Molecular Weight:
263.1331
MDL Number:
MFCD09800937
IUPAC Name:
5-bromo-4-(4-ethylphenyl)pyrimidine
InChI:
InChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)12-11(13)7-14-8-15-12/h3-8H,2H2,1H3
InChI Key:
TYXNSADRHQQYQW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ncncc1Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.138g/mol
Monoisotopic Mass:
262.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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