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Home > Bromides > 1269293-87-9
1269293-87-9 | 1H-Pyrazole, 1-(4-bromophenyl)-5-(3-thienyl)-
CAS No: 1269293-87-9 Catalog No: AG000WE4 MDL No:MFCD20275410
Product Description
Catalog Number:
AG000WE4
Chemical Name:
1H-Pyrazole, 1-(4-bromophenyl)-5-(3-thienyl)-
CAS Number:
1269293-87-9
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
MDL Number:
MFCD20275410
IUPAC Name:
1-(4-bromophenyl)-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C13H9BrN2S/c14-11-1-3-12(4-2-11)16-13(5-7-15-16)10-6-8-17-9-10/h1-9H
InChI Key:
FLPBOIGYDGYPIA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nccc1c1cscc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.193g/mol
Monoisotopic Mass:
303.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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