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149739-37-7

149739-37-7 | 1H-Pyrazole, 4-bromo-3-(2-fluorophenyl)-

CAS No: 149739-37-7 Catalog No: AG001LYX MDL No:

Product Description

Catalog Number:
AG001LYX
Chemical Name:
1H-Pyrazole, 4-bromo-3-(2-fluorophenyl)-
CAS Number:
149739-37-7
Molecular Formula:
C9H6BrFN2
Molecular Weight:
241.0597
IUPAC Name:
4-bromo-5-(2-fluorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6BrFN2/c10-7-5-12-13-9(7)6-3-1-2-4-8(6)11/h1-5H,(H,12,13)
InChI Key:
BUXFOPVDJITVHK-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1n[nH]cc1Br

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.97g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.063g/mol
Monoisotopic Mass:
239.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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