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Home > Bromides > 1269292-27-4
1269292-27-4 | 1H-Pyrazole, 1-(2-bromophenyl)-5-(3-thienyl)-
CAS No: 1269292-27-4 Catalog No: AG000TJM MDL No:MFCD20275411
Product Description
Catalog Number:
AG000TJM
Chemical Name:
1H-Pyrazole, 1-(2-bromophenyl)-5-(3-thienyl)-
CAS Number:
1269292-27-4
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
MDL Number:
MFCD20275411
IUPAC Name:
1-(2-bromophenyl)-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C13H9BrN2S/c14-11-3-1-2-4-13(11)16-12(5-7-15-16)10-6-8-17-9-10/h1-9H
InChI Key:
STFCKFCPWSYXMH-UHFFFAOYSA-N
SMILES:
Brc1ccccc1n1nccc1c1ccsc1
Properties
Complexity:
264
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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