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Home > Bromides > 1269293-28-8
1269293-28-8 | Pyrimidine, 2-[1-(4-bromophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269293-28-8 Catalog No: AG000WDH MDL No:MFCD20275451
Product Description
Catalog Number:
AG000WDH
Chemical Name:
Pyrimidine, 2-[1-(4-bromophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269293-28-8
Molecular Formula:
C13H9BrN4
Molecular Weight:
301.1414
MDL Number:
MFCD20275451
IUPAC Name:
2-[2-(4-bromophenyl)pyrazol-3-yl]pyrimidine
InChI:
InChI=1S/C13H9BrN4/c14-10-2-4-11(5-3-10)18-12(6-9-17-18)13-15-7-1-8-16-13/h1-9H
InChI Key:
NQXDNWCOGXCLFD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nccc1c1ncccn1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.147g/mol
Monoisotopic Mass:
300.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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