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Home > Bromides > 1269293-06-2
1269293-06-2 | 1H-Pyrazole-4-carbonitrile, 1-(4-bromophenyl)-5-fluoro-
CAS No: 1269293-06-2 Catalog No: AG000TJY MDL No:MFCD17168494
Product Description
Catalog Number:
AG000TJY
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-(4-bromophenyl)-5-fluoro-
CAS Number:
1269293-06-2
Molecular Formula:
C10H5BrFN3
Molecular Weight:
266.0692
MDL Number:
MFCD17168494
IUPAC Name:
1-(4-bromophenyl)-5-fluoropyrazole-4-carbonitrile
InChI:
InChI=1S/C10H5BrFN3/c11-8-1-3-9(4-2-8)15-10(12)7(5-13)6-14-15/h1-4,6H
InChI Key:
CXGBHZSQFOBGSR-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1ccc(cc1)Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.965g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.073g/mol
Monoisotopic Mass:
264.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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